4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide

C23H26N4O4S — CID 60559986

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
SMILESCc1nc(C2(NC(=O)c3ccc(NS(=O)(=O)c4ccc(C)c(C)c4)cc3)CCCC2)no1
InChIInChI=1S/C23H26N4O4S/c1-15-6-11-20(14-16(15)2)32(29,30)27-19-9-7-18(8-10-19)21(28)25-23(12-4-5-13-23)22-24-17(3)31-26-22/h6-11,14,27H,4-5,12-13H2,1-3H3,(H,25,28)
InChIKeyNDFHMKKSZLBOCQ-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.99
Rot. Bonds6

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide (PubChem CID 60559986) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
PubChem CID60559986
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
SMILESCc1nc(C2(NC(=O)c3ccc(NS(=O)(=O)c4ccc(C)c(C)c4)cc3)CCCC2)no1
InChIInChI=1S/C23H26N4O4S/c1-15-6-11-20(14-16(15)2)32(29,30)27-19-9-7-18(8-10-19)21(28)25-23(12-4-5-13-23)22-24-17(3)31-26-22/h6-11,14,27H,4-5,12-13H2,1-3H3,(H,25,28)
InChIKeyNDFHMKKSZLBOCQ-UHFFFAOYSA-N
XLogP3.99
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264
2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 55520393
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55622088
3-(cyclopropylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 55980465
2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55672473
3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622459
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide
CID 55980982
3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]furan-2-carboxamide
CID 35781226
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide (CID 60559986) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide is Cc1nc(C2(NC(=O)c3ccc(NS(=O)(=O)c4ccc(C)c(C)c4)cc3)CCCC2)no1.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
The InChIKey is NDFHMKKSZLBOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-15-6-11-20(14-16(15)2)32(29,30)27-19-9-7-18(8-10-19)21(28)25-23(12-4-5-13-23)22-24-17(3)31-26-22/h6-11,14,27H,4-5,12-13H2,1-3H3,(H,25,28).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide has a molecular weight of 454.55 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide is sourced from PubChem (CID 60559986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).