1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide

C21H28N2O3S — CID 4684175

IUPAC1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H28N2O3S/c1-3-7-16(2)22-21(24)19-10-6-13-23(15-19)27(25,26)20-12-11-17-8-4-5-9-18(17)14-20/h4-5,8-9,11-12,14,16,19H,3,6-7,10,13,15H2,1-2H3,(H,22,24)
InChIKeyYPTUIPGUSHXWSK-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.55
Rot. Bonds6

About 1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide

1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 4684175) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID4684175
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H28N2O3S/c1-3-7-16(2)22-21(24)19-10-6-13-23(15-19)27(25,26)20-12-11-17-8-4-5-9-18(17)14-20/h4-5,8-9,11-12,14,16,19H,3,6-7,10,13,15H2,1-2H3,(H,22,24)
InChIKeyYPTUIPGUSHXWSK-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-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)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591179
(3S)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591181
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 41302198
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40628353
N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 46420149
(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976126
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 124504662
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide (CID 4684175) is 1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is YPTUIPGUSHXWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-3-7-16(2)22-21(24)19-10-6-13-23(15-19)27(25,26)20-12-11-17-8-4-5-9-18(17)14-20/h4-5,8-9,11-12,14,16,19H,3,6-7,10,13,15H2,1-2H3,(H,22,24).
What are the key properties of 1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide?
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 388.53 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 4684175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).