1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide

C27H37N3O4S — CID 20974027

IUPAC1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)CC1
InChIInChI=1S/C27H37N3O4S/c1-19(2)18-28-25(31)20-13-15-30(16-14-20)26(32)21-7-6-8-23(17-21)29-35(33,34)24-11-9-22(10-12-24)27(3,4)5/h6-12,17,19-20,29H,13-16,18H2,1-5H3,(H,28,31)
InChIKeyRECMBSJRRSVVNM-UHFFFAOYSA-N
MW499.68 g/mol
LogP4.41
Rot. Bonds7

About 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide

1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 20974027) has the molecular formula C27H37N3O4S and a molecular weight of 499.68 g/mol. Its IUPAC name is 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID20974027
Molecular FormulaC27H37N3O4S
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC Name1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)CC1
InChIInChI=1S/C27H37N3O4S/c1-19(2)18-28-25(31)20-13-15-30(16-14-20)26(32)21-7-6-8-23(17-21)29-35(33,34)24-11-9-22(10-12-24)27(3,4)5/h6-12,17,19-20,29H,13-16,18H2,1-5H3,(H,28,31)
InChIKeyRECMBSJRRSVVNM-UHFFFAOYSA-N
XLogP4.41
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 54.41
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-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973961
1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20973960
N-(2-methoxyethyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973983
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20973116
4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 39329690
N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974007
(2S)-1-[3-(benzenesulfonamido)benzoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 92728331
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946378
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 20974027) is 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)CC1.
What is the InChIKey of 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is RECMBSJRRSVVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4S/c1-19(2)18-28-25(31)20-13-15-30(16-14-20)26(32)21-7-6-8-23(17-21)29-35(33,34)24-11-9-22(10-12-24)27(3,4)5/h6-12,17,19-20,29H,13-16,18H2,1-5H3,(H,28,31).
What are the key properties of 1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 499.68 g/mol, XLogP of 4.41, 7 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-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 20974027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).