(3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

C24H31N3O5S — CID 92729196

IUPAC(3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)C1
InChIInChI=1S/C24H31N3O5S/c1-3-4-15-25-23(28)19-6-5-16-27(17-19)24(29)18-7-9-20(10-8-18)26-33(30,31)22-13-11-21(32-2)12-14-22/h7-14,19,26H,3-6,15-17H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyZVKQEEDPWDSNMN-IBGZPJMESA-N
MW473.60 g/mol
LogP3.26
Rot. Bonds9

About (3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

(3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (PubChem CID 92729196) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is (3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
PubChem CID92729196
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name(3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)C1
InChIInChI=1S/C24H31N3O5S/c1-3-4-15-25-23(28)19-6-5-16-27(17-19)24(29)18-7-9-20(10-8-18)26-33(30,31)22-13-11-21(32-2)12-14-22/h7-14,19,26H,3-6,15-17H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyZVKQEEDPWDSNMN-IBGZPJMESA-N
XLogP3.26
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729225
1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50826971
(2S)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92730058
methyl 4-[3-(hexylcarbamoyl)piperidine-1-carbonyl]benzoate
CID 60608356
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
N-butyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 146071605
(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide
CID 92729209
1-[4-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 50826798
1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 50831023
1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide
CID 49403077
N-butyl-1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830822

Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (CID 92729196) is (3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)C1.
What is the InChIKey of (3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The InChIKey is ZVKQEEDPWDSNMN-IBGZPJMESA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-3-4-15-25-23(28)19-6-5-16-27(17-19)24(29)18-7-9-20(10-8-18)26-33(30,31)22-13-11-21(32-2)12-14-22/h7-14,19,26H,3-6,15-17H2,1-2H3,(H,25,28)/t19-/m0/s1.
What are the key properties of (3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
(3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92729196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).