(3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide

C25H34N2O7S — CID 125047733

IUPAC(3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1
InChIInChI=1S/C25H34N2O7S/c1-6-34-20-9-11-21(12-10-20)35(29,30)27-13-7-8-19(17-27)25(28)26(2)16-18-14-22(31-3)24(33-5)23(15-18)32-4/h9-12,14-15,19H,6-8,13,16-17H2,1-5H3/t19-/m0/s1
InChIKeyCOWPCKXECAQWJO-IBGZPJMESA-N
MW506.62 g/mol
LogP3.17
Rot. Bonds10

About (3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide

(3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 125047733) has the molecular formula C25H34N2O7S and a molecular weight of 506.62 g/mol. Its IUPAC name is (3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID125047733
Molecular FormulaC25H34N2O7S
Molecular Weight506.62 g/mol
Exact Mass506.21
IUPAC Name(3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1
InChIInChI=1S/C25H34N2O7S/c1-6-34-20-9-11-21(12-10-20)35(29,30)27-13-7-8-19(17-27)25(28)26(2)16-18-14-22(31-3)24(33-5)23(15-18)32-4/h9-12,14-15,19H,6-8,13,16-17H2,1-5H3/t19-/m0/s1
InChIKeyCOWPCKXECAQWJO-IBGZPJMESA-N
XLogP3.17
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.62
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 133159504
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 125050637
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 28954361
(3S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 125049667
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800732
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800248
1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24641369
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490719
N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24502988
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 46636602
(3R)-N-methyl-N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100665394
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 125049657

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide (CID 125047733) is (3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)C2)cc1.
What is the InChIKey of (3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is COWPCKXECAQWJO-IBGZPJMESA-N. The full InChI is InChI=1S/C25H34N2O7S/c1-6-34-20-9-11-21(12-10-20)35(29,30)27-13-7-8-19(17-27)25(28)26(2)16-18-14-22(31-3)24(33-5)23(15-18)32-4/h9-12,14-15,19H,6-8,13,16-17H2,1-5H3/t19-/m0/s1.
What are the key properties of (3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 506.62 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 125047733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).