(2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide

C23H29N3O4S — CID 143174221

IUPAC(2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide
SMILESCNC(=O)C(Cc1ccccc1)N(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H29N3O4S/c1-24-22(27)21(17-18-11-5-3-6-12-18)25(2)23(28)20-15-9-10-16-26(20)31(29,30)19-13-7-4-8-14-19/h3-8,11-14,20-21H,9-10,15-17H2,1-2H3,(H,24,27)/t20-,21?/m0/s1
InChIKeyJQHIHWREYLRWGQ-BGERDNNASA-N
MW443.57 g/mol
LogP2.05
Rot. Bonds7

About (2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide

(2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide (PubChem CID 143174221) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide
PubChem CID143174221
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name(2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide
SMILESCNC(=O)C(Cc1ccccc1)N(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H29N3O4S/c1-24-22(27)21(17-18-11-5-3-6-12-18)25(2)23(28)20-15-9-10-16-26(20)31(29,30)19-13-7-4-8-14-19/h3-8,11-14,20-21H,9-10,15-17H2,1-2H3,(H,24,27)/t20-,21?/m0/s1
InChIKeyJQHIHWREYLRWGQ-BGERDNNASA-N
XLogP2.05
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-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-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112790162
3-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119232881
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
(2S)-N-[(1S)-2-(4-acetamidophenyl)-1-aminoethyl]-1-(benzenesulfonyl)piperidine-2-carboxamide
CID 66750764
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide
CID 78781172
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
cis-(1R,2S)-2-[[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22842791

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide (CID 143174221) is (2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide is CNC(=O)C(Cc1ccccc1)N(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide?
The InChIKey is JQHIHWREYLRWGQ-BGERDNNASA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-24-22(27)21(17-18-11-5-3-6-12-18)25(2)23(28)20-15-9-10-16-26(20)31(29,30)19-13-7-4-8-14-19/h3-8,11-14,20-21H,9-10,15-17H2,1-2H3,(H,24,27)/t20-,21?/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide?
(2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-N-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 143174221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).