4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide

C21H25N3O4S — CID 46465029

IUPAC4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c(C)c1
InChIInChI=1S/C21H25N3O4S/c1-14-12-16(20(25)22-2)10-11-19(14)23-21(26)15-6-5-9-18(13-15)29(27,28)24-17-7-3-4-8-17/h5-6,9-13,17,24H,3-4,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOJIFBWVPUIGNEG-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.83
Rot. Bonds6

About 4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide

4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide (PubChem CID 46465029) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide
PubChem CID46465029
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c(C)c1
InChIInChI=1S/C21H25N3O4S/c1-14-12-16(20(25)22-2)10-11-19(14)23-21(26)15-6-5-9-18(13-15)29(27,28)24-17-7-3-4-8-17/h5-6,9-13,17,24H,3-4,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOJIFBWVPUIGNEG-UHFFFAOYSA-N
XLogP2.83
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-methylphenyl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 120568619
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
3-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 109063388
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
CID 6981857
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide
CID 56570757
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide (CID 46465029) is 4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)c(C)c1.
What is the InChIKey of 4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide?
The InChIKey is OJIFBWVPUIGNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-14-12-16(20(25)22-2)10-11-19(14)23-21(26)15-6-5-9-18(13-15)29(27,28)24-17-7-3-4-8-17/h5-6,9-13,17,24H,3-4,7-8H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide?
4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-N,3-dimethylbenzamide is sourced from PubChem (CID 46465029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).