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

C23H27N3O4S — CID 20974007

IUPACN-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)cc1
InChIInChI=1S/C23H27N3O4S/c1-16-5-9-21(10-6-16)31(29,30)25-20-4-2-3-18(15-20)23(28)26-13-11-17(12-14-26)22(27)24-19-7-8-19/h2-6,9-10,15,17,19,25H,7-8,11-14H2,1H3,(H,24,27)
InChIKeyLTGCONMPAZACAD-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.93
Rot. Bonds6

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

N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide (PubChem CID 20974007) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
PubChem CID20974007
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)cc1
InChIInChI=1S/C23H27N3O4S/c1-16-5-9-21(10-6-16)31(29,30)25-20-4-2-3-18(15-20)23(28)26-13-11-17(12-14-26)22(27)24-19-7-8-19/h2-6,9-10,15,17,19,25H,7-8,11-14H2,1H3,(H,24,27)
InChIKeyLTGCONMPAZACAD-UHFFFAOYSA-N
XLogP2.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 20974013
N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974015
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 146062956
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974051
N-cyclopropyl-1-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 55954695
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075
N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830202
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20974027

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide (CID 20974007) is N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)cc1.
What is the InChIKey of N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The InChIKey is LTGCONMPAZACAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-16-5-9-21(10-6-16)31(29,30)25-20-4-2-3-18(15-20)23(28)26-13-11-17(12-14-26)22(27)24-19-7-8-19/h2-6,9-10,15,17,19,25H,7-8,11-14H2,1H3,(H,24,27).
What are the key properties of N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 20974007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).