(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide

C20H23N3O4S — CID 38764457

IUPAC(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1
InChIInChI=1S/C20H23N3O4S/c1-15(24)21-17-8-5-9-18(13-17)22-20(25)16-7-6-12-23(14-16)28(26,27)19-10-3-2-4-11-19/h2-5,8-11,13,16H,6-7,12,14H2,1H3,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyAWQNKNVPKYTWHJ-INIZCTEOSA-N
MW401.49 g/mol
LogP2.68
Rot. Bonds5

About (3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide

(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide (PubChem CID 38764457) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is (3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
PubChem CID38764457
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1
InChIInChI=1S/C20H23N3O4S/c1-15(24)21-17-8-5-9-18(13-17)22-20(25)16-7-6-12-23(14-16)28(26,27)19-10-3-2-4-11-19/h2-5,8-11,13,16H,6-7,12,14H2,1H3,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyAWQNKNVPKYTWHJ-INIZCTEOSA-N
XLogP2.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 55796655
(3S)-1-(benzenesulfonyl)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 100660090
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
(3S)-1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 38802258
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 2981997
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863431

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide (CID 38764457) is (3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1.
What is the InChIKey of (3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide?
The InChIKey is AWQNKNVPKYTWHJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-15(24)21-17-8-5-9-18(13-17)22-20(25)16-7-6-12-23(14-16)28(26,27)19-10-3-2-4-11-19/h2-5,8-11,13,16H,6-7,12,14H2,1H3,(H,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of (3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide?
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 38764457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).