1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide

C18H19N3O4S — CID 166185447

IUPAC1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C18H19N3O4S/c1-26(24,25)21-16-4-2-3-15(11-16)20-18(23)13-7-5-12(6-8-13)17(22)19-14-9-10-14/h2-8,11,14,21H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyRNINNTZUOYGECW-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.20
Rot. Bonds6

About 1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide

1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide (PubChem CID 166185447) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide
PubChem CID166185447
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C18H19N3O4S/c1-26(24,25)21-16-4-2-3-15(11-16)20-18(23)13-7-5-12(6-8-13)17(22)19-14-9-10-14/h2-8,11,14,21H,9-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyRNINNTZUOYGECW-UHFFFAOYSA-N
XLogP2.20
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 9247210
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide
CID 43057657
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide
CID 35743719
2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide
CID 61274882
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide (CID 166185447) is 1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide is CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of 1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is RNINNTZUOYGECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-26(24,25)21-16-4-2-3-15(11-16)20-18(23)13-7-5-12(6-8-13)17(22)19-14-9-10-14/h2-8,11,14,21H,9-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide?
1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 166185447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).