N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide

C20H23N3O4S — CID 34283045

IUPACN-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C20H23N3O4S/c1-21-28(26,27)16-11-6-14(7-12-16)8-13-19(24)23-18-5-3-2-4-17(18)20(25)22-15-9-10-15/h2-7,11-12,15,21H,8-10,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyDMASQRJCVKULDH-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.06
Rot. Bonds8

About N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide

N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide (PubChem CID 34283045) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide
PubChem CID34283045
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C20H23N3O4S/c1-21-28(26,27)16-11-6-14(7-12-16)8-13-19(24)23-18-5-3-2-4-17(18)20(25)22-15-9-10-15/h2-7,11-12,15,21H,8-10,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyDMASQRJCVKULDH-UHFFFAOYSA-N
XLogP2.06
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide
CID 26707492
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 177005008
N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279897
N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 2470313
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 31826579
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
N-(2-chlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 2984291

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide (CID 34283045) is N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide is CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide?
The InChIKey is DMASQRJCVKULDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-21-28(26,27)16-11-6-14(7-12-16)8-13-19(24)23-18-5-3-2-4-17(18)20(25)22-15-9-10-15/h2-7,11-12,15,21H,8-10,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide?
N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]benzamide is sourced from PubChem (CID 34283045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).