N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide

C27H37N3O4S — CID 20973961

IUPACN-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c2)CC1
InChIInChI=1S/C27H37N3O4S/c1-19(2)12-15-28-26(31)22-13-16-30(17-14-22)27(32)23-6-5-7-24(18-23)29-35(33,34)25-10-8-21(9-11-25)20(3)4/h5-11,18-20,22,29H,12-17H2,1-4H3,(H,28,31)
InChIKeyMGYOHOUNRXDHJH-UHFFFAOYSA-N
MW499.68 g/mol
LogP4.63
Rot. Bonds9

About N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide

N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide (PubChem CID 20973961) has the molecular formula C27H37N3O4S and a molecular weight of 499.68 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
PubChem CID20973961
Molecular FormulaC27H37N3O4S
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC NameN-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c2)CC1
InChIInChI=1S/C27H37N3O4S/c1-19(2)12-15-28-26(31)22-13-16-30(17-14-22)27(32)23-6-5-7-24(18-23)29-35(33,34)25-10-8-21(9-11-25)20(3)4/h5-11,18-20,22,29H,12-17H2,1-4H3,(H,28,31)
InChIKeyMGYOHOUNRXDHJH-UHFFFAOYSA-N
XLogP4.63
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973983
1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20973960
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20974027
(3S)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729651
(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729549
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
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
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 20974013
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide (CID 20973961) is N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c2)CC1.
What is the InChIKey of N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The InChIKey is MGYOHOUNRXDHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4S/c1-19(2)12-15-28-26(31)22-13-16-30(17-14-22)27(32)23-6-5-7-24(18-23)29-35(33,34)25-10-8-21(9-11-25)20(3)4/h5-11,18-20,22,29H,12-17H2,1-4H3,(H,28,31).
What are the key properties of N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide has a molecular weight of 499.68 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 20973961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).