(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide

C23H24N2O3S — CID 1078452

IUPAC(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc4ccccc34)C2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-11-13-20(14-12-17)29(27,28)25-15-5-8-19(16-25)23(26)24-22-10-4-7-18-6-2-3-9-21(18)22/h2-4,6-7,9-14,19H,5,8,15-16H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyCOJBHRXUMJWCLK-LJQANCHMSA-N
MW408.52 g/mol
LogP4.19
Rot. Bonds4

About (3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide

(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide (PubChem CID 1078452) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
PubChem CID1078452
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc4ccccc34)C2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17-11-13-20(14-12-17)29(27,28)25-15-5-8-19(16-25)23(26)24-22-10-4-7-18-6-2-3-9-21(18)22/h2-4,6-7,9-14,19H,5,8,15-16H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyCOJBHRXUMJWCLK-LJQANCHMSA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119
N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119422310
(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide
CID 1455613
(3R)-N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1075960
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133167979
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 4530655
(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156380
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302252
(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide (CID 1078452) is (3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc4ccccc34)C2)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide?
The InChIKey is COJBHRXUMJWCLK-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-11-13-20(14-12-17)29(27,28)25-15-5-8-19(16-25)23(26)24-22-10-4-7-18-6-2-3-9-21(18)22/h2-4,6-7,9-14,19H,5,8,15-16H2,1H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide?
(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 1078452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).