1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide

C89H110Cl3N9O3S3 — CID 158035459

IUPAC1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12.CCCCC(CC)CNC(=O)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12.Cc1cccc(CNC(=O)c2cn(CCCN3CCC(Sc4ccc(Cl)cc4)CC3)c3ccccc23)c1
InChIInChI=1S/C31H34ClN3OS.C31H42ClN3OS.C27H34ClN3OS/c1-23-6-4-7-24(20-23)21-33-31(36)29-22-35(30-9-3-2-8-28(29)30)17-5-16-34-18-14-27(15-19-34)37-26-12-10-25(32)11-13-26;1-3-5-9-24(4-2)22-33-31(36)29-23-35(30-11-7-6-10-28(29)30)19-8-18-34-20-16-27(17-21-34)37-26-14-12-25(32)13-15-26;1-20(2)18-29-27(32)25-19-31(26-7-4-3-6-24(25)26)15-5-14-30-16-12-23(13-17-30)33-22-10-8-21(28)9-11-22/h2-4,6-13,20,22,27H,5,14-19,21H2,1H3,(H,33,36);6-7,10-15,23-24,27H,3-5,8-9,16-22H2,1-2H3,(H,33,36);3-4,6-11,19-20,23H,5,12-18H2,1-2H3,(H,29,32)
InChIKeyFHRRAAPKPBPMCD-UHFFFAOYSA-N
MW1556.48 g/mol
LogP21.39
Rot. Bonds31

About 1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide

1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide (PubChem CID 158035459) has the molecular formula C89H110Cl3N9O3S3 and a molecular weight of 1556.48 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide
PubChem CID158035459
Molecular FormulaC89H110Cl3N9O3S3
Molecular Weight1556.48 g/mol
Exact Mass1553.70
IUPAC Name1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12.CCCCC(CC)CNC(=O)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12.Cc1cccc(CNC(=O)c2cn(CCCN3CCC(Sc4ccc(Cl)cc4)CC3)c3ccccc23)c1
InChIInChI=1S/C31H34ClN3OS.C31H42ClN3OS.C27H34ClN3OS/c1-23-6-4-7-24(20-23)21-33-31(36)29-22-35(30-9-3-2-8-28(29)30)17-5-16-34-18-14-27(15-19-34)37-26-12-10-25(32)11-13-26;1-3-5-9-24(4-2)22-33-31(36)29-23-35(30-11-7-6-10-28(29)30)19-8-18-34-20-16-27(17-21-34)37-26-14-12-25(32)13-15-26;1-20(2)18-29-27(32)25-19-31(26-7-4-3-6-24(25)26)15-5-14-30-16-12-23(13-17-30)33-22-10-8-21(28)9-11-22/h2-4,6-13,20,22,27H,5,14-19,21H2,1H3,(H,33,36);6-7,10-15,23-24,27H,3-5,8-9,16-22H2,1-2H3,(H,33,36);3-4,6-11,19-20,23H,5,12-18H2,1-2H3,(H,29,32)
InChIKeyFHRRAAPKPBPMCD-UHFFFAOYSA-N
XLogP21.39
TPSA111.81 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001556.48
LogP ≤ 521.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide?
The IUPAC name of 1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide (CID 158035459) is 1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide.
What is the SMILES notation for 1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide?
The canonical SMILES for 1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide is CC(C)CNC(=O)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12.CCCCC(CC)CNC(=O)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12.Cc1cccc(CNC(=O)c2cn(CCCN3CCC(Sc4ccc(Cl)cc4)CC3)c3ccccc23)c1.
What is the InChIKey of 1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide?
The InChIKey is FHRRAAPKPBPMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN3OS.C31H42ClN3OS.C27H34ClN3OS/c1-23-6-4-7-24(20-23)21-33-31(36)29-22-35(30-9-3-2-8-28(29)30)17-5-16-34-18-14-27(15-19-34)37-26-12-10-25(32)11-13-26;1-3-5-9-24(4-2)22-33-31(36)29-23-35(30-11-7-6-10-28(29)30)19-8-18-34-20-16-27(17-21-34)37-26-14-12-25(32)13-15-26;1-20(2)18-29-27(32)25-19-31(26-7-4-3-6-24(25)26)15-5-14-30-16-12-23(13-17-30)33-22-10-8-21(28)9-11-22/h2-4,6-13,20,22,27H,5,14-19,21H2,1H3,(H,33,36);6-7,10-15,23-24,27H,3-5,8-9,16-22H2,1-2H3,(H,33,36);3-4,6-11,19-20,23H,5,12-18H2,1-2H3,(H,29,32).
What are the key properties of 1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide?
1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide has a molecular weight of 1556.48 g/mol, XLogP of 21.39, 31 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide is sourced from PubChem (CID 158035459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).