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

C23H26N4O4S — CID 18584070

IUPAC4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)o2)c1
InChIInChI=1S/C23H26N4O4S/c1-15-8-9-16(2)20(14-15)22-25-26-23(31-22)24-21(28)17-10-12-19(13-11-17)32(29,30)27(3)18-6-4-5-7-18/h8-14,18H,4-7H2,1-3H3,(H,24,26,28)
InChIKeyJBGQPKYMTRTKKP-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.17
Rot. Bonds6

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

4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 18584070) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID18584070
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)o2)c1
InChIInChI=1S/C23H26N4O4S/c1-15-8-9-16(2)20(14-15)22-25-26-23(31-22)24-21(28)17-10-12-19(13-11-17)32(29,30)27(3)18-6-4-5-7-18/h8-14,18H,4-7H2,1-3H3,(H,24,26,28)
InChIKeyJBGQPKYMTRTKKP-UHFFFAOYSA-N
XLogP4.17
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41364015
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43978034
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3557609
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974341
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18553446
4-[benzyl(propan-2-yl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16810027
4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
CID 41044404
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121044015
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 7533252
4-[bis(2-cyanoethyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821780
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 18584070) is 4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)o2)c1.
What is the InChIKey of 4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is JBGQPKYMTRTKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-15-8-9-16(2)20(14-15)22-25-26-23(31-22)24-21(28)17-10-12-19(13-11-17)32(29,30)27(3)18-6-4-5-7-18/h8-14,18H,4-7H2,1-3H3,(H,24,26,28).
What are the key properties of 4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 454.55 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 18584070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).