(3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C27H30N2O3S — CID 125071827

IUPAC(3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](c3ccccc3)c3cccc(C)c3)C2)cc1
InChIInChI=1S/C27H30N2O3S/c1-20-13-15-25(16-14-20)33(31,32)29-17-7-12-24(19-29)27(30)28-26(22-9-4-3-5-10-22)23-11-6-8-21(2)18-23/h3-6,8-11,13-16,18,24,26H,7,12,17,19H2,1-2H3,(H,28,30)/t24-,26-/m1/s1
InChIKeyDJNJCMZRDCRWNM-AOYPEHQESA-N
MW462.62 g/mol
LogP4.61
Rot. Bonds6

About (3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 125071827) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is (3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID125071827
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC Name(3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](c3ccccc3)c3cccc(C)c3)C2)cc1
InChIInChI=1S/C27H30N2O3S/c1-20-13-15-25(16-14-20)33(31,32)29-17-7-12-24(19-29)27(30)28-26(22-9-4-3-5-10-22)23-11-6-8-21(2)18-23/h3-6,8-11,13-16,18,24,26H,7,12,17,19H2,1-2H3,(H,28,30)/t24-,26-/m1/s1
InChIKeyDJNJCMZRDCRWNM-AOYPEHQESA-N
XLogP4.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-benzhydryl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078436
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(S)-(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 100669848
1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide
CID 46438239
(3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780299
N-[(4-methoxyphenyl)-phenylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414462
N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 133189694
(3R)-N-[(S)-(4-methylphenyl)-phenylmethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 37152907
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
(3S)-N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073136
(2R)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]butanoic acid
CID 119369114
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 17476145

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 125071827) is (3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](c3ccccc3)c3cccc(C)c3)C2)cc1.
What is the InChIKey of (3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is DJNJCMZRDCRWNM-AOYPEHQESA-N. The full InChI is InChI=1S/C27H30N2O3S/c1-20-13-15-25(16-14-20)33(31,32)29-17-7-12-24(19-29)27(30)28-26(22-9-4-3-5-10-22)23-11-6-8-21(2)18-23/h3-6,8-11,13-16,18,24,26H,7,12,17,19H2,1-2H3,(H,28,30)/t24-,26-/m1/s1.
What are the key properties of (3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 125071827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).