(3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C22H33N3O5S — CID 40919122

IUPAC(3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)N(C)C3CCCCC3)C2)cc1
InChIInChI=1S/C22H33N3O5S/c1-24(18-8-4-3-5-9-18)21(26)15-23-22(27)17-7-6-14-25(16-17)31(28,29)20-12-10-19(30-2)11-13-20/h10-13,17-18H,3-9,14-16H2,1-2H3,(H,23,27)/t17-/m0/s1
InChIKeyWVEVERZJVLZFQT-KRWDZBQOSA-N
MW451.59 g/mol
LogP2.00
Rot. Bonds7

About (3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

(3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 40919122) has the molecular formula C22H33N3O5S and a molecular weight of 451.59 g/mol. Its IUPAC name is (3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID40919122
Molecular FormulaC22H33N3O5S
Molecular Weight451.59 g/mol
Exact Mass451.21
IUPAC Name(3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)N(C)C3CCCCC3)C2)cc1
InChIInChI=1S/C22H33N3O5S/c1-24(18-8-4-3-5-9-18)21(26)15-23-22(27)17-7-6-14-25(16-17)31(28,29)20-12-10-19(30-2)11-13-20/h10-13,17-18H,3-9,14-16H2,1-2H3,(H,23,27)/t17-/m0/s1
InChIKeyWVEVERZJVLZFQT-KRWDZBQOSA-N
XLogP2.00
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-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

(3R)-N-(2-amino-2-oxoethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9297102
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 9302223
(3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41091084
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98636720
(3R)-1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 9207700
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
1-(4-methoxyphenyl)sulfonyl-N-(4-methylpentyl)piperidine-3-carboxamide
CID 134023366
(3R)-1-(benzenesulfonyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 41129510

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 40919122) is (3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)N(C)C3CCCCC3)C2)cc1.
What is the InChIKey of (3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is WVEVERZJVLZFQT-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H33N3O5S/c1-24(18-8-4-3-5-9-18)21(26)15-23-22(27)17-7-6-14-25(16-17)31(28,29)20-12-10-19(30-2)11-13-20/h10-13,17-18H,3-9,14-16H2,1-2H3,(H,23,27)/t17-/m0/s1.
What are the key properties of (3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
(3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 40919122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).