4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide

C21H27N3O4S — CID 46380415

IUPAC4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-15-4-5-16(2)20(14-15)29(26,27)23-18-10-12-24(13-11-18)21(25)22-17-6-8-19(28-3)9-7-17/h4-9,14,18,23H,10-13H2,1-3H3,(H,22,25)
InChIKeyFAOWIALROGTQDZ-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.29
Rot. Bonds5

About 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide

4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 46380415) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
PubChem CID46380415
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-15-4-5-16(2)20(14-15)29(26,27)23-18-10-12-24(13-11-18)21(25)22-17-6-8-19(28-3)9-7-17/h4-9,14,18,23H,10-13H2,1-3H3,(H,22,25)
InChIKeyFAOWIALROGTQDZ-UHFFFAOYSA-N
XLogP3.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470
N-(4-methoxyphenyl)-4-[(3-methylbenzoyl)amino]piperidine-1-carboxamide
CID 43814085
N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823683
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565409
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 100780110
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819180
2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566075
2,5-dimethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567274
4-(furan-2-carbonylamino)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 651346

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 46380415) is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is FAOWIALROGTQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-15-4-5-16(2)20(14-15)29(26,27)23-18-10-12-24(13-11-18)21(25)22-17-6-8-19(28-3)9-7-17/h4-9,14,18,23H,10-13H2,1-3H3,(H,22,25).
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46380415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).