(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide

C24H24N2O3S — CID 1445014

IUPAC(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C24H24N2O3S/c27-24(25-23-16-8-7-15-22(23)19-10-3-1-4-11-19)20-12-9-17-26(18-20)30(28,29)21-13-5-2-6-14-21/h1-8,10-11,13-16,20H,9,12,17-18H2,(H,25,27)/t20-/m1/s1
InChIKeyQDTCPBQALVQMOA-HXUWFJFHSA-N
MW420.53 g/mol
LogP4.39
Rot. Bonds5

About (3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide

(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide (PubChem CID 1445014) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is (3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
PubChem CID1445014
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C24H24N2O3S/c27-24(25-23-16-8-7-15-22(23)19-10-3-1-4-11-19)20-12-9-17-26(18-20)30(28,29)21-13-5-2-6-14-21/h1-8,10-11,13-16,20H,9,12,17-18H2,(H,25,27)/t20-/m1/s1
InChIKeyQDTCPBQALVQMOA-HXUWFJFHSA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 46430810
N-(2-phenylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3215996
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3R)-1-(benzenesulfonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28550001
1-(benzenesulfonyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-3-carboxamide
CID 55765498
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94624120
(3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 39499198
1-(benzenesulfonyl)-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 43872856
(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 46461883

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide (CID 1445014) is (3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide?
The InChIKey is QDTCPBQALVQMOA-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N2O3S/c27-24(25-23-16-8-7-15-22(23)19-10-3-1-4-11-19)20-12-9-17-26(18-20)30(28,29)21-13-5-2-6-14-21/h1-8,10-11,13-16,20H,9,12,17-18H2,(H,25,27)/t20-/m1/s1.
What are the key properties of (3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide?
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 1445014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).