N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide

C25H31N3O4S — CID 20974015

IUPACN-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)c(C)c1
InChIInChI=1S/C25H31N3O4S/c1-16-13-17(2)23(18(3)14-16)33(31,32)27-22-6-4-5-20(15-22)25(30)28-11-9-19(10-12-28)24(29)26-21-7-8-21/h4-6,13-15,19,21,27H,7-12H2,1-3H3,(H,26,29)
InChIKeyQTVBVUXYLPHRGQ-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.54
Rot. Bonds6

About N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide

N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide (PubChem CID 20974015) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
PubChem CID20974015
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC NameN-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)c(C)c1
InChIInChI=1S/C25H31N3O4S/c1-16-13-17(2)23(18(3)14-16)33(31,32)27-22-6-4-5-20(15-22)25(30)28-11-9-19(10-12-28)24(29)26-21-7-8-21/h4-6,13-15,19,21,27H,7-12H2,1-3H3,(H,26,29)
InChIKeyQTVBVUXYLPHRGQ-UHFFFAOYSA-N
XLogP3.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974051
N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974007
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 20974013
N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830202
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42395399
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
tert-butyl N-[3-[4-(cyclopropylcarbamoyl)piperidine-1-carbonyl]phenyl]carbamate
CID 55904279
N-cyclopropyl-1-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 55954695
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20973960
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide (CID 20974015) is N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)c(C)c1.
What is the InChIKey of N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The InChIKey is QTVBVUXYLPHRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-16-13-17(2)23(18(3)14-16)33(31,32)27-22-6-4-5-20(15-22)25(30)28-11-9-19(10-12-28)24(29)26-21-7-8-21/h4-6,13-15,19,21,27H,7-12H2,1-3H3,(H,26,29).
What are the key properties of N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 3.54, 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-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 20974015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).