(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

C25H33N3O4S — CID 92729549

IUPAC(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESCc1ccccc1S(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)c1
InChIInChI=1S/C25H33N3O4S/c1-18(2)13-14-26-24(29)21-10-7-15-28(17-21)25(30)20-9-6-11-22(16-20)27-33(31,32)23-12-5-4-8-19(23)3/h4-6,8-9,11-12,16,18,21,27H,7,10,13-15,17H2,1-3H3,(H,26,29)/t21-/m0/s1
InChIKeyLWISXMVBYCQANR-NRFANRHFSA-N
MW471.62 g/mol
LogP3.81
Rot. Bonds8

About (3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (PubChem CID 92729549) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is (3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
PubChem CID92729549
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC Name(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESCc1ccccc1S(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)c1
InChIInChI=1S/C25H33N3O4S/c1-18(2)13-14-26-24(29)21-10-7-15-28(17-21)25(30)20-9-6-11-22(16-20)27-33(31,32)23-12-5-4-8-19(23)3/h4-6,8-9,11-12,16,18,21,27H,7,10,13-15,17H2,1-3H3,(H,26,29)/t21-/m0/s1
InChIKeyLWISXMVBYCQANR-NRFANRHFSA-N
XLogP3.81
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-methoxyethyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729638
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20973960
1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 46387326
(3S)-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729647
(3R)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 92729572
N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973961
N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830202
N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830133
(3S)-1-[3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 9166013
1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50829421
(2S)-N-butyl-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728373

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (CID 92729549) is (3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is Cc1ccccc1S(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)c1.
What is the InChIKey of (3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The InChIKey is LWISXMVBYCQANR-NRFANRHFSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-18(2)13-14-26-24(29)21-10-7-15-28(17-21)25(30)20-9-6-11-22(16-20)27-33(31,32)23-12-5-4-8-19(23)3/h4-6,8-9,11-12,16,18,21,27H,7,10,13-15,17H2,1-3H3,(H,26,29)/t21-/m0/s1.
What are the key properties of (3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide has a molecular weight of 471.62 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92729549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).