1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide

C26H35N3O4S — CID 20973960

IUPAC1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NCCC(C)C)CC3)c2)cc1C
InChIInChI=1S/C26H35N3O4S/c1-18(2)10-13-27-25(30)21-11-14-29(15-12-21)26(31)22-6-5-7-23(17-22)28-34(32,33)24-9-8-19(3)20(4)16-24/h5-9,16-18,21,28H,10-15H2,1-4H3,(H,27,30)
InChIKeyYCGQRTBPSGGVGQ-UHFFFAOYSA-N
MW485.65 g/mol
LogP4.12
Rot. Bonds8

About 1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide

1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 20973960) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is 1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID20973960
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC Name1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NCCC(C)C)CC3)c2)cc1C
InChIInChI=1S/C26H35N3O4S/c1-18(2)10-13-27-25(30)21-11-14-29(15-12-21)26(31)22-6-5-7-23(17-22)28-34(32,33)24-9-8-19(3)20(4)16-24/h5-9,16-18,21,28H,10-15H2,1-4H3,(H,27,30)
InChIKeyYCGQRTBPSGGVGQ-UHFFFAOYSA-N
XLogP4.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973961
(3S)-N-(3-methylbutyl)-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729549
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20974027
N-(2-methoxyethyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20973983
(3R)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 92729572
(2S)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92728389
N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974007
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
3-fluoro-4-methyl-N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 56544184
4-(2-methylpropyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 39329690
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485
N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
CID 55954327

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide (CID 20973960) is 1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(=O)NCCC(C)C)CC3)c2)cc1C.
What is the InChIKey of 1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is YCGQRTBPSGGVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-18(2)10-13-27-25(30)21-11-14-29(15-12-21)26(31)22-6-5-7-23(17-22)28-34(32,33)24-9-8-19(3)20(4)16-24/h5-9,16-18,21,28H,10-15H2,1-4H3,(H,27,30).
What are the key properties of 1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 485.65 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 20973960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).