N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

C27H29N3O4S — CID 50830133

IUPACN-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC(C(=O)NCc4ccccc4)C3)c2)cc1
InChIInChI=1S/C27H29N3O4S/c1-20-12-14-25(15-13-20)35(33,34)29-24-11-5-9-22(17-24)27(32)30-16-6-10-23(19-30)26(31)28-18-21-7-3-2-4-8-21/h2-5,7-9,11-15,17,23,29H,6,10,16,18-19H2,1H3,(H,28,31)
InChIKeyWOOPMBKKYNZKNX-UHFFFAOYSA-N
MW491.61 g/mol
LogP3.96
Rot. Bonds7

About N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (PubChem CID 50830133) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
PubChem CID50830133
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC NameN-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC(C(=O)NCc4ccccc4)C3)c2)cc1
InChIInChI=1S/C27H29N3O4S/c1-20-12-14-25(15-13-20)35(33,34)29-24-11-5-9-22(17-24)27(32)30-16-6-10-23(19-30)26(31)28-18-21-7-3-2-4-8-21/h2-5,7-9,11-15,17,23,29H,6,10,16,18-19H2,1H3,(H,28,31)
InChIKeyWOOPMBKKYNZKNX-UHFFFAOYSA-N
XLogP3.96
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
(3S)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729651
(3R)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 92729572
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
(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729549
(3R)-N-(2-methoxyethyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729638
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
(3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide
CID 92729695
(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082533

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (CID 50830133) is N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC(C(=O)NCc4ccccc4)C3)c2)cc1.
What is the InChIKey of N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The InChIKey is WOOPMBKKYNZKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-20-12-14-25(15-13-20)35(33,34)29-24-11-5-9-22(17-24)27(32)30-16-6-10-23(19-30)26(31)28-18-21-7-3-2-4-8-21/h2-5,7-9,11-15,17,23,29H,6,10,16,18-19H2,1H3,(H,28,31).
What are the key properties of N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 50830133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).