1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide

C26H33N3O4S — CID 20974013

IUPAC1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)cc1
InChIInChI=1S/C26H33N3O4S/c1-26(2,3)20-7-11-23(12-8-20)34(32,33)28-22-6-4-5-19(17-22)25(31)29-15-13-18(14-16-29)24(30)27-21-9-10-21/h4-8,11-12,17-18,21,28H,9-10,13-16H2,1-3H3,(H,27,30)
InChIKeyCHLQNQCERBMZEQ-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.92
Rot. Bonds6

About 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide

1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 20974013) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
PubChem CID20974013
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)cc1
InChIInChI=1S/C26H33N3O4S/c1-26(2,3)20-7-11-23(12-8-20)34(32,33)28-22-6-4-5-19(17-22)25(31)29-15-13-18(14-16-29)24(30)27-21-9-10-21/h4-8,11-12,17-18,21,28H,9-10,13-16H2,1-3H3,(H,27,30)
InChIKeyCHLQNQCERBMZEQ-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974007
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20974027
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
tert-butyl N-[3-[4-(cyclopropylcarbamoyl)piperidine-1-carbonyl]phenyl]carbamate
CID 55904279
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946378
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973961
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-tert-butylphenyl)sulfonylamino]benzoate
CID 7720201

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide (CID 20974013) is 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NC4CC4)CC3)c2)cc1.
What is the InChIKey of 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is CHLQNQCERBMZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-26(2,3)20-7-11-23(12-8-20)34(32,33)28-22-6-4-5-19(17-22)25(31)29-15-13-18(14-16-29)24(30)27-21-9-10-21/h4-8,11-12,17-18,21,28H,9-10,13-16H2,1-3H3,(H,27,30).
What are the key properties of 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide?
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 483.63 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 20974013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).