(3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide

C27H30N2O3S — CID 100780299

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

About (3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 100780299) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is (3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID100780299
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC Name(3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C27H30N2O3S/c1-20-15-16-21(2)25(18-20)33(31,32)29-17-9-14-24(19-29)27(30)28-26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-16,18,24,26H,9,14,17,19H2,1-2H3,(H,28,30)/t24-/m1/s1
InChIKeyZIKKULLTNSNIKM-XMMPIXPASA-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

1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 133254929
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
(3S)-N-benzhydryl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078436
(3R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125071827
(3R)-N-[(2S)-butan-2-yl]-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779925
(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779953
1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide
CID 46438239
1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 133255017
1-(2,5-dimethylphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 100780467
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanone
CID 125062280
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(S)-(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 100669848
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide (CID 100780299) is (3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)C2)c1.
What is the InChIKey of (3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is ZIKKULLTNSNIKM-XMMPIXPASA-N. The full InChI is InChI=1S/C27H30N2O3S/c1-20-15-16-21(2)25(18-20)33(31,32)29-17-9-14-24(19-29)27(30)28-26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-16,18,24,26H,9,14,17,19H2,1-2H3,(H,28,30)/t24-/m1/s1.
What are the key properties of (3R)-N-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-benzhydryl-1-(2,5-dimethylphenyl)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-benzhydryl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 100780299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).