(2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide

C19H22N2O3S — CID 132918406

IUPAC(2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-9-11-16(12-10-14)25(23,24)21-13-5-8-17(19(20)22)18(21)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3,(H2,20,22)/t17-,18-/m0/s1
InChIKeyRRVZLKCUFOHSPS-ROUUACIJSA-N
MW358.46 g/mol
LogP2.62
Rot. Bonds4

About (2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide

(2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide (PubChem CID 132918406) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide
PubChem CID132918406
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-9-11-16(12-10-14)25(23,24)21-13-5-8-17(19(20)22)18(21)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3,(H2,20,22)/t17-,18-/m0/s1
InChIKeyRRVZLKCUFOHSPS-ROUUACIJSA-N
XLogP2.62
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol
CID 11659970
2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 151276711
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
1-(4-methylphenyl)sulfonyl-7-phenyl-2,3,4,7-tetrahydroazepine
CID 101056783
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091
(1R,4aS,8aR)-4a-chloro-2-(4-methylphenyl)sulfonyl-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 11889048
3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane
CID 46707965
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol
CID 71665857
1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-one
CID 12643847

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide (CID 132918406) is (2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide?
The InChIKey is RRVZLKCUFOHSPS-ROUUACIJSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-9-11-16(12-10-14)25(23,24)21-13-5-8-17(19(20)22)18(21)15-6-3-2-4-7-15/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3,(H2,20,22)/t17-,18-/m0/s1.
What are the key properties of (2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide?
(2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 132918406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).