N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

C110H135ClN12O16S8 — CID 173123946

IUPACN-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESCCCCCc1ccc(CNC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc(OC)c4)s3)CC2)cc1.CCc1ccc(CNC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc(OC)c4)s3)CC2)cc1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4c(C)cc(C)cc4C)CC3)s2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4ccc(Cl)cc4)CC3)s2)c1
InChIInChI=1S/C30H39N3O4S2.C28H35N3O4S2.C27H33N3O4S2.C25H28ClN3O4S2/c1-3-4-5-7-23-10-12-24(13-11-23)21-31-26-16-18-33(19-17-26)39(35,36)29-15-14-28(38-29)22-32-30(34)25-8-6-9-27(20-25)37-2;1-19-14-20(2)26(21(3)15-19)18-29-23-10-12-31(13-11-23)37(33,34)27-9-8-25(36-27)17-30-28(32)22-6-5-7-24(16-22)35-4;1-3-20-7-9-21(10-8-20)18-28-23-13-15-30(16-14-23)36(32,33)26-12-11-25(35-26)19-29-27(31)22-5-4-6-24(17-22)34-2;1-33-22-4-2-3-19(15-22)25(30)28-17-23-9-10-24(34-23)35(31,32)29-13-11-21(12-14-29)27-16-18-5-7-20(26)8-6-18/h6,8-15,20,26,31H,3-5,7,16-19,21-22H2,1-2H3,(H,32,34);5-9,14-16,23,29H,10-13,17-18H2,1-4H3,(H,30,32);4-12,17,23,28H,3,13-16,18-19H2,1-2H3,(H,29,31);2-10,15,21,27H,11-14,16-17H2,1H3,(H,28,30)
InChIKeyPARYMUVZFBBROX-UHFFFAOYSA-N
MW2173.35 g/mol
LogP18.39
Rot. Bonds41

About N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (PubChem CID 173123946) has the molecular formula C110H135ClN12O16S8 and a molecular weight of 2173.35 g/mol. Its IUPAC name is N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
PubChem CID173123946
Molecular FormulaC110H135ClN12O16S8
Molecular Weight2173.35 g/mol
Exact Mass2170.76
IUPAC NameN-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESCCCCCc1ccc(CNC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc(OC)c4)s3)CC2)cc1.CCc1ccc(CNC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc(OC)c4)s3)CC2)cc1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4c(C)cc(C)cc4C)CC3)s2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4ccc(Cl)cc4)CC3)s2)c1
InChIInChI=1S/C30H39N3O4S2.C28H35N3O4S2.C27H33N3O4S2.C25H28ClN3O4S2/c1-3-4-5-7-23-10-12-24(13-11-23)21-31-26-16-18-33(19-17-26)39(35,36)29-15-14-28(38-29)22-32-30(34)25-8-6-9-27(20-25)37-2;1-19-14-20(2)26(21(3)15-19)18-29-23-10-12-31(13-11-23)37(33,34)27-9-8-25(36-27)17-30-28(32)22-6-5-7-24(16-22)35-4;1-3-20-7-9-21(10-8-20)18-28-23-13-15-30(16-14-23)36(32,33)26-12-11-25(35-26)19-29-27(31)22-5-4-6-24(17-22)34-2;1-33-22-4-2-3-19(15-22)25(30)28-17-23-9-10-24(34-23)35(31,32)29-13-11-21(12-14-29)27-16-18-5-7-20(26)8-6-18/h6,8-15,20,26,31H,3-5,7,16-19,21-22H2,1-2H3,(H,32,34);5-9,14-16,23,29H,10-13,17-18H2,1-4H3,(H,30,32);4-12,17,23,28H,3,13-16,18-19H2,1-2H3,(H,29,31);2-10,15,21,27H,11-14,16-17H2,1H3,(H,28,30)
InChIKeyPARYMUVZFBBROX-UHFFFAOYSA-N
XLogP18.39
TPSA350.96 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds41
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002173.35
LogP ≤ 518.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide with MolForge

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Related Compounds

3-methoxy-N-[[5-[4-[(4-propoxyphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10166382
3-methoxy-N-[2-[5-[4-[(4-propylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]benzamide
CID 90967221
N-[[5-[4-[(4-ethylsulfanylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 68659155
3-methoxy-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10185063
N-[[5-[4-(heptylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-(octylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 161356718
3-methoxy-N-[[5-[4-[[4-(2-methylpropyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(4-propan-2-ylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 161487004
3-methoxy-N-[[5-[4-[[2-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 68659062
3-methoxy-N-[[5-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10207219
N-[[5-[4-(cyclohexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 142788761
N-[[5-[4-(3,3-diethoxypropylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 10143590
N-[[5-(4-anilinopiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 57443892
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (CID 173123946) is N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is CCCCCc1ccc(CNC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc(OC)c4)s3)CC2)cc1.CCc1ccc(CNC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc(OC)c4)s3)CC2)cc1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4c(C)cc(C)cc4C)CC3)s2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4ccc(Cl)cc4)CC3)s2)c1.
What is the InChIKey of N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The InChIKey is PARYMUVZFBBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O4S2.C28H35N3O4S2.C27H33N3O4S2.C25H28ClN3O4S2/c1-3-4-5-7-23-10-12-24(13-11-23)21-31-26-16-18-33(19-17-26)39(35,36)29-15-14-28(38-29)22-32-30(34)25-8-6-9-27(20-25)37-2;1-19-14-20(2)26(21(3)15-19)18-29-23-10-12-31(13-11-23)37(33,34)27-9-8-25(36-27)17-30-28(32)22-6-5-7-24(16-22)35-4;1-3-20-7-9-21(10-8-20)18-28-23-13-15-30(16-14-23)36(32,33)26-12-11-25(35-26)19-29-27(31)22-5-4-6-24(17-22)34-2;1-33-22-4-2-3-19(15-22)25(30)28-17-23-9-10-24(34-23)35(31,32)29-13-11-21(12-14-29)27-16-18-5-7-20(26)8-6-18/h6,8-15,20,26,31H,3-5,7,16-19,21-22H2,1-2H3,(H,32,34);5-9,14-16,23,29H,10-13,17-18H2,1-4H3,(H,30,32);4-12,17,23,28H,3,13-16,18-19H2,1-2H3,(H,29,31);2-10,15,21,27H,11-14,16-17H2,1H3,(H,28,30).
What are the key properties of N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide has a molecular weight of 2173.35 g/mol, XLogP of 18.39, 41 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;N-[[5-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-[(4-pentylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-[(2,4,6-trimethylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 173123946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).