2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate

C167H226BrCl7N14O14S8 — CID 160747315

IUPAC2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
SMILESC.C.CN1CCC(c2ccc(Cl)cc2)C(C(=O)Cl)C1.COC(=O)C1CN(C)CCC1c1ccc(Cl)cc1.COc1ccc(CSCCN)cc1.COc1ccc(CSCCNC(=O)C2CN(C)CCC2c2ccc(Cl)cc2)cc1.COc1ccc(CSCCNC(=O)CBr)cc1.COc1ccc(CSCCNC(=O)CN(CCSCc2ccc(OC)cc2)CC2CN(C)CCC2c2ccc(Cl)cc2)cc1.COc1ccc(CSCCNCC2CN(C)CCC2c2ccc(Cl)cc2)cc1.COc1ccc(CSCCNCCN(CCSCc2ccc(OC)cc2)CC2CN(C)CCC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C35H46ClN3O3S2.C35H48ClN3O2S2.C23H29ClN2O2S.C23H31ClN2OS.C14H18ClNO2.C13H15Cl2NO.C12H16BrNO2S.C10H15NOS.2CH4/c1-38-18-16-34(29-8-10-31(36)11-9-29)30(22-38)23-39(19-21-44-26-28-6-14-33(42-3)15-7-28)24-35(40)37-17-20-43-25-27-4-12-32(41-2)13-5-27;1-38-19-16-35(30-8-10-32(36)11-9-30)31(24-38)25-39(21-23-43-27-29-6-14-34(41-3)15-7-29)20-17-37-18-22-42-26-28-4-12-33(40-2)13-5-28;1-26-13-11-21(18-5-7-19(24)8-6-18)22(15-26)23(27)25-12-14-29-16-17-3-9-20(28-2)10-4-17;1-26-13-11-23(19-5-7-21(24)8-6-19)20(16-26)15-25-12-14-28-17-18-3-9-22(27-2)10-4-18;1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10;1-16-7-6-11(12(8-16)13(15)17)9-2-4-10(14)5-3-9;1-16-11-4-2-10(3-5-11)9-17-7-6-14-12(15)8-13;1-12-10-4-2-9(3-5-10)8-13-7-6-11;;/h4-15,30,34H,16-26H2,1-3H3,(H,37,40);4-15,31,35,37H,16-27H2,1-3H3;3-10,21-22H,11-16H2,1-2H3,(H,25,27);3-10,20,23,25H,11-17H2,1-2H3;3-6,12-13H,7-9H2,1-2H3;2-5,11-12H,6-8H2,1H3;2-5H,6-9H2,1H3,(H,14,15);2-5H,6-8,11H2,1H3;2*1H4
InChIKeyRWIWQZGQMGOMDH-UHFFFAOYSA-N
MW3238.34 g/mol
LogP34.46
Rot. Bonds68

About 2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate

2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate (PubChem CID 160747315) has the molecular formula C167H226BrCl7N14O14S8 and a molecular weight of 3238.34 g/mol. Its IUPAC name is 2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Name2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
PubChem CID160747315
Molecular FormulaC167H226BrCl7N14O14S8
Molecular Weight3238.34 g/mol
Exact Mass3231.22
IUPAC Name2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
SMILESC.C.CN1CCC(c2ccc(Cl)cc2)C(C(=O)Cl)C1.COC(=O)C1CN(C)CCC1c1ccc(Cl)cc1.COc1ccc(CSCCN)cc1.COc1ccc(CSCCNC(=O)C2CN(C)CCC2c2ccc(Cl)cc2)cc1.COc1ccc(CSCCNC(=O)CBr)cc1.COc1ccc(CSCCNC(=O)CN(CCSCc2ccc(OC)cc2)CC2CN(C)CCC2c2ccc(Cl)cc2)cc1.COc1ccc(CSCCNCC2CN(C)CCC2c2ccc(Cl)cc2)cc1.COc1ccc(CSCCNCCN(CCSCc2ccc(OC)cc2)CC2CN(C)CCC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C35H46ClN3O3S2.C35H48ClN3O2S2.C23H29ClN2O2S.C23H31ClN2OS.C14H18ClNO2.C13H15Cl2NO.C12H16BrNO2S.C10H15NOS.2CH4/c1-38-18-16-34(29-8-10-31(36)11-9-29)30(22-38)23-39(19-21-44-26-28-6-14-33(42-3)15-7-28)24-35(40)37-17-20-43-25-27-4-12-32(41-2)13-5-27;1-38-19-16-35(30-8-10-32(36)11-9-30)31(24-38)25-39(21-23-43-27-29-6-14-34(41-3)15-7-29)20-17-37-18-22-42-26-28-4-12-33(40-2)13-5-28;1-26-13-11-21(18-5-7-19(24)8-6-18)22(15-26)23(27)25-12-14-29-16-17-3-9-20(28-2)10-4-17;1-26-13-11-23(19-5-7-21(24)8-6-19)20(16-26)15-25-12-14-28-17-18-3-9-22(27-2)10-4-18;1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10;1-16-7-6-11(12(8-16)13(15)17)9-2-4-10(14)5-3-9;1-16-11-4-2-10(3-5-11)9-17-7-6-14-12(15)8-13;1-12-10-4-2-9(3-5-10)8-13-7-6-11;;/h4-15,30,34H,16-26H2,1-3H3,(H,37,40);4-15,31,35,37H,16-27H2,1-3H3;3-10,21-22H,11-16H2,1-2H3,(H,25,27);3-10,20,23,25H,11-17H2,1-2H3;3-6,12-13H,7-9H2,1-2H3;2-5,11-12H,6-8H2,1H3;2-5H,6-9H2,1H3,(H,14,15);2-5H,6-8,11H2,1H3;2*1H4
InChIKeyRWIWQZGQMGOMDH-UHFFFAOYSA-N
XLogP34.46
TPSA280.51 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds68
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003238.34
LogP ≤ 534.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate with MolForge

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Related Compounds

CID 158709924
CID 158709924
N-[[(2R,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine
CID 174548164
2-[2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
CID 12991656
methyl (3R)-1-(4-chlorobutyl)-4-(4-chlorophenyl)piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-(3-chloropropyl)piperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate;methyl (3R)-4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate;methyl 4-(4-chlorophenyl)-1-[3-[2-sulfanylethyl-[2-(2-sulfanylethylamino)ethyl]amino]propyl]piperidine-3-carboxylate
CID 161174128
2-[2-[2-(4-methoxyphenyl)ethylsulfanyl]ethylamino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide
CID 46899391
N-[[(1R)-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octan-2-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine
CID 129051693
(3S,4S)-4-[4-[(cyclopropanecarbonylamino)methyl]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 125022795
5-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl]oxypentyl (3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 10076847
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 51342743
methyl (3R,4S)-4-(4-chlorophenyl)-1-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate
CID 11100300
2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N-methylacetamide
CID 11301852
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930787

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate?
The IUPAC name of 2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate (CID 160747315) is 2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate.
What is the SMILES notation for 2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate?
The canonical SMILES for 2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate is C.C.CN1CCC(c2ccc(Cl)cc2)C(C(=O)Cl)C1.COC(=O)C1CN(C)CCC1c1ccc(Cl)cc1.COc1ccc(CSCCN)cc1.COc1ccc(CSCCNC(=O)C2CN(C)CCC2c2ccc(Cl)cc2)cc1.COc1ccc(CSCCNC(=O)CBr)cc1.COc1ccc(CSCCNC(=O)CN(CCSCc2ccc(OC)cc2)CC2CN(C)CCC2c2ccc(Cl)cc2)cc1.COc1ccc(CSCCNCC2CN(C)CCC2c2ccc(Cl)cc2)cc1.COc1ccc(CSCCNCCN(CCSCc2ccc(OC)cc2)CC2CN(C)CCC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate?
The InChIKey is RWIWQZGQMGOMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46ClN3O3S2.C35H48ClN3O2S2.C23H29ClN2O2S.C23H31ClN2OS.C14H18ClNO2.C13H15Cl2NO.C12H16BrNO2S.C10H15NOS.2CH4/c1-38-18-16-34(29-8-10-31(36)11-9-29)30(22-38)23-39(19-21-44-26-28-6-14-33(42-3)15-7-28)24-35(40)37-17-20-43-25-27-4-12-32(41-2)13-5-27;1-38-19-16-35(30-8-10-32(36)11-9-30)31(24-38)25-39(21-23-43-27-29-6-14-34(41-3)15-7-29)20-17-37-18-22-42-26-28-4-12-33(40-2)13-5-28;1-26-13-11-21(18-5-7-19(24)8-6-18)22(15-26)23(27)25-12-14-29-16-17-3-9-20(28-2)10-4-17;1-26-13-11-23(19-5-7-21(24)8-6-19)20(16-26)15-25-12-14-28-17-18-3-9-22(27-2)10-4-18;1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10;1-16-7-6-11(12(8-16)13(15)17)9-2-4-10(14)5-3-9;1-16-11-4-2-10(3-5-11)9-17-7-6-14-12(15)8-13;1-12-10-4-2-9(3-5-10)8-13-7-6-11;;/h4-15,30,34H,16-26H2,1-3H3,(H,37,40);4-15,31,35,37H,16-27H2,1-3H3;3-10,21-22H,11-16H2,1-2H3,(H,25,27);3-10,20,23,25H,11-17H2,1-2H3;3-6,12-13H,7-9H2,1-2H3;2-5,11-12H,6-8H2,1H3;2-5H,6-9H2,1H3,(H,14,15);2-5H,6-8,11H2,1H3;2*1H4.
What are the key properties of 2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate?
2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate has a molecular weight of 3238.34 g/mol, XLogP of 34.46, 68 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;4-(4-chlorophenyl)-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1-methylpiperidine-3-carboxamide;4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl chloride;N'-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N,N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine;N-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;2-[[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide;methane;2-[(4-methoxyphenyl)methylsulfanyl]ethanamine;methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate is sourced from PubChem (CID 160747315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).