N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

C171H178F6N32O39S17 — CID 173215037

IUPACN-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESCCCc1ccccc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)s2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc4c(c3)CCC4)CC2)s1)c1cccc([N+](=O)[O-])c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc4c(c3)CS(=O)(=O)C4)CC2)s1)c1cccc([N+](=O)[O-])c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(SC(F)(F)F)c3)CC2)s1)c1ccc([N+](=O)[O-])cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(SC(F)(F)F)c3)CC2)s1)c1cccc([N+](=O)[O-])c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)s1)c1cccc([N+](=O)[O-])c1.[H]/N=C(\N)c1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2)c1
InChIInChI=1S/C26H28N4O5S2.C26H30N4O5S2.C25H26N4O7S3.2C24H23F3N4O5S3.C24H26N6O5S2.C22H22N6O7S2/c31-26(20-5-2-6-23(16-20)30(32)33)27-17-24-9-10-25(36-24)37(34,35)29-13-11-21(12-14-29)28-22-8-7-18-3-1-4-19(18)15-22;1-2-6-19-7-3-4-10-24(19)28-21-13-15-29(16-14-21)37(34,35)25-12-11-23(36-25)18-27-26(31)20-8-5-9-22(17-20)30(32)33;30-25(17-2-1-3-22(13-17)29(31)32)26-14-23-6-7-24(37-23)39(35,36)28-10-8-20(9-11-28)27-21-5-4-18-15-38(33,34)16-19(18)12-21;25-24(26,27)38-20-6-2-4-18(14-20)29-17-9-11-30(12-10-17)39(35,36)22-8-7-21(37-22)15-28-23(32)16-3-1-5-19(13-16)31(33)34;25-24(26,27)38-20-3-1-2-18(14-20)29-17-10-12-30(13-11-17)39(35,36)22-9-8-21(37-22)15-28-23(32)16-4-6-19(7-5-16)31(33)34;25-23(26)17-2-1-3-19(14-17)28-18-10-12-29(13-11-18)37(34,35)22-9-8-21(36-22)15-27-24(31)16-4-6-20(7-5-16)30(32)33;29-22(15-3-1-4-17(13-15)27(30)31)24-14-18-6-7-20(36-18)37(34,35)26-11-8-16(9-12-26)25-21-19(28(32)33)5-2-10-23-21/h2,5-10,15-16,21,28H,1,3-4,11-14,17H2,(H,27,31);3-5,7-12,17,21,28H,2,6,13-16,18H2,1H3,(H,27,31);1-7,12-13,20,27H,8-11,14-16H2,(H,26,30);1-8,13-14,17,29H,9-12,15H2,(H,28,32);1-9,14,17,29H,10-13,15H2,(H,28,32);1-9,14,18,28H,10-13,15H2,(H3,25,26)(H,27,31);1-7,10,13,16H,8-9,11-12,14H2,(H,23,25)(H,24,29)
InChIKeyJVVDOKKNFNZKID-UHFFFAOYSA-N
MW3964.62 g/mol
LogP29.64
Rot. Bonds62

About N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (PubChem CID 173215037) has the molecular formula C171H178F6N32O39S17 and a molecular weight of 3964.62 g/mol. Its IUPAC name is N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
PubChem CID173215037
Molecular FormulaC171H178F6N32O39S17
Molecular Weight3964.62 g/mol
Exact Mass3960.81
IUPAC NameN-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESCCCc1ccccc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)s2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc4c(c3)CCC4)CC2)s1)c1cccc([N+](=O)[O-])c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc4c(c3)CS(=O)(=O)C4)CC2)s1)c1cccc([N+](=O)[O-])c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(SC(F)(F)F)c3)CC2)s1)c1ccc([N+](=O)[O-])cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(SC(F)(F)F)c3)CC2)s1)c1cccc([N+](=O)[O-])c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)s1)c1cccc([N+](=O)[O-])c1.[H]/N=C(\N)c1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2)c1
InChIInChI=1S/C26H28N4O5S2.C26H30N4O5S2.C25H26N4O7S3.2C24H23F3N4O5S3.C24H26N6O5S2.C22H22N6O7S2/c31-26(20-5-2-6-23(16-20)30(32)33)27-17-24-9-10-25(36-24)37(34,35)29-13-11-21(12-14-29)28-22-8-7-18-3-1-4-19(18)15-22;1-2-6-19-7-3-4-10-24(19)28-21-13-15-29(16-14-21)37(34,35)25-12-11-23(36-25)18-27-26(31)20-8-5-9-22(17-20)30(32)33;30-25(17-2-1-3-22(13-17)29(31)32)26-14-23-6-7-24(37-23)39(35,36)28-10-8-20(9-11-28)27-21-5-4-18-15-38(33,34)16-19(18)12-21;25-24(26,27)38-20-6-2-4-18(14-20)29-17-9-11-30(12-10-17)39(35,36)22-8-7-21(37-22)15-28-23(32)16-3-1-5-19(13-16)31(33)34;25-24(26,27)38-20-3-1-2-18(14-20)29-17-10-12-30(13-11-17)39(35,36)22-9-8-21(37-22)15-28-23(32)16-4-6-19(7-5-16)31(33)34;25-23(26)17-2-1-3-19(14-17)28-18-10-12-29(13-11-18)37(34,35)22-9-8-21(36-22)15-27-24(31)16-4-6-20(7-5-16)30(32)33;29-22(15-3-1-4-17(13-15)27(30)31)24-14-18-6-7-20(36-18)37(34,35)26-11-8-16(9-12-26)25-21-19(28(32)33)5-2-10-23-21/h2,5-10,15-16,21,28H,1,3-4,11-14,17H2,(H,27,31);3-5,7-12,17,21,28H,2,6,13-16,18H2,1H3,(H,27,31);1-7,12-13,20,27H,8-11,14-16H2,(H,26,30);1-8,13-14,17,29H,9-12,15H2,(H,28,32);1-9,14,17,29H,10-13,15H2,(H,28,32);1-9,14,18,28H,10-13,15H2,(H3,25,26)(H,27,31);1-7,10,13,16H,8-9,11-12,14H2,(H,23,25)(H,24,29)
InChIKeyJVVDOKKNFNZKID-UHFFFAOYSA-N
XLogP29.64
TPSA991.59 Ų
H-Bond Donors16
H-Bond Acceptors57
Rotatable Bonds62
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003964.62
LogP ≤ 529.64
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1057

Analyze N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide
CID 57443842
N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;4-nitro-N-[[5-[4-(3-nitroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 158824492
3-nitro-N-[[5-[4-[4-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 67403728
N-[[5-[4-(3-benzylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;4-nitro-N-[[5-[4-(3-phenylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 157095856
3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 87632112
3-methoxy-N-[[5-[4-(3-nitroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 57443884
3-nitro-2-[[5-[4-(3-nitroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 142776647
3-methoxy-N-[[5-[4-[3-(1,3-oxazol-2-yl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 67401428
N-[[5-(4-anilinopiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 57443892
N-[[5-[4-(4-carbamimidoylbenzoyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 18382304
4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 87631975
N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 57443879

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (CID 173215037) is N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is CCCc1ccccc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)s2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc4c(c3)CCC4)CC2)s1)c1cccc([N+](=O)[O-])c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc4c(c3)CS(=O)(=O)C4)CC2)s1)c1cccc([N+](=O)[O-])c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(SC(F)(F)F)c3)CC2)s1)c1ccc([N+](=O)[O-])cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(SC(F)(F)F)c3)CC2)s1)c1cccc([N+](=O)[O-])c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)s1)c1cccc([N+](=O)[O-])c1.[H]/N=C(\N)c1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2)c1.
What is the InChIKey of N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The InChIKey is JVVDOKKNFNZKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5S2.C26H30N4O5S2.C25H26N4O7S3.2C24H23F3N4O5S3.C24H26N6O5S2.C22H22N6O7S2/c31-26(20-5-2-6-23(16-20)30(32)33)27-17-24-9-10-25(36-24)37(34,35)29-13-11-21(12-14-29)28-22-8-7-18-3-1-4-19(18)15-22;1-2-6-19-7-3-4-10-24(19)28-21-13-15-29(16-14-21)37(34,35)25-12-11-23(36-25)18-27-26(31)20-8-5-9-22(17-20)30(32)33;30-25(17-2-1-3-22(13-17)29(31)32)26-14-23-6-7-24(37-23)39(35,36)28-10-8-20(9-11-28)27-21-5-4-18-15-38(33,34)16-19(18)12-21;25-24(26,27)38-20-6-2-4-18(14-20)29-17-9-11-30(12-10-17)39(35,36)22-8-7-21(37-22)15-28-23(32)16-3-1-5-19(13-16)31(33)34;25-24(26,27)38-20-3-1-2-18(14-20)29-17-10-12-30(13-11-17)39(35,36)22-9-8-21(37-22)15-28-23(32)16-4-6-19(7-5-16)31(33)34;25-23(26)17-2-1-3-19(14-17)28-18-10-12-29(13-11-18)37(34,35)22-9-8-21(36-22)15-27-24(31)16-4-6-20(7-5-16)30(32)33;29-22(15-3-1-4-17(13-15)27(30)31)24-14-18-6-7-20(36-18)37(34,35)26-11-8-16(9-12-26)25-21-19(28(32)33)5-2-10-23-21/h2,5-10,15-16,21,28H,1,3-4,11-14,17H2,(H,27,31);3-5,7-12,17,21,28H,2,6,13-16,18H2,1H3,(H,27,31);1-7,12-13,20,27H,8-11,14-16H2,(H,26,30);1-8,13-14,17,29H,9-12,15H2,(H,28,32);1-9,14,17,29H,10-13,15H2,(H,28,32);1-9,14,18,28H,10-13,15H2,(H3,25,26)(H,27,31);1-7,10,13,16H,8-9,11-12,14H2,(H,23,25)(H,24,29).
What are the key properties of N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide has a molecular weight of 3964.62 g/mol, XLogP of 29.64, 62 rotatable bonds, 16 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(3-carbamimidoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;N-[[5-[4-(2,3-dihydro-1H-inden-5-ylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;N-[[5-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide;3-nitro-N-[[5-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-nitro-N-[[5-[4-[3-(trifluoromethylsulfanyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 173215037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).