N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

C26H33N3O4S — CID 50830202

IUPACN-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC(C(=O)NC4CCCC4)C3)c2)c(C)c1
InChIInChI=1S/C26H33N3O4S/c1-18-12-13-24(19(2)15-18)34(32,33)28-23-11-5-7-20(16-23)26(31)29-14-6-8-21(17-29)25(30)27-22-9-3-4-10-22/h5,7,11-13,15-16,21-22,28H,3-4,6,8-10,14,17H2,1-2H3,(H,27,30)
InChIKeyUDXCXUUNKBPYMB-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.02
Rot. Bonds6

About N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (PubChem CID 50830202) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
PubChem CID50830202
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC(C(=O)NC4CCCC4)C3)c2)c(C)c1
InChIInChI=1S/C26H33N3O4S/c1-18-12-13-24(19(2)15-18)34(32,33)28-23-11-5-7-20(16-23)26(31)29-14-6-8-21(17-29)25(30)27-22-9-3-4-10-22/h5,7,11-13,15-16,21-22,28H,3-4,6,8-10,14,17H2,1-2H3,(H,27,30)
InChIKeyUDXCXUUNKBPYMB-UHFFFAOYSA-N
XLogP4.02
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829342
N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729549
N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974007
(3R)-N-(2-methoxyethyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729638
N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974015
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (CID 50830202) is N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC(C(=O)NC4CCCC4)C3)c2)c(C)c1.
What is the InChIKey of N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The InChIKey is UDXCXUUNKBPYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-18-12-13-24(19(2)15-18)34(32,33)28-23-11-5-7-20(16-23)26(31)29-14-6-8-21(17-29)25(30)27-22-9-3-4-10-22/h5,7,11-13,15-16,21-22,28H,3-4,6,8-10,14,17H2,1-2H3,(H,27,30).
What are the key properties of N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide has a molecular weight of 483.63 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 50830202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).