4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide

C20H25N3O4S — CID 126185320

IUPAC4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-14(2)13-22-28(26,27)18-10-3-15(4-11-18)5-12-19(24)23-17-8-6-16(7-9-17)20(21)25/h3-4,6-11,14,22H,5,12-13H2,1-2H3,(H2,21,25)(H,23,24)
InChIKeyJPWMWSNFCCQBCD-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.29
Rot. Bonds9

About 4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide

4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide (PubChem CID 126185320) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide
PubChem CID126185320
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-14(2)13-22-28(26,27)18-10-3-15(4-11-18)5-12-19(24)23-17-8-6-16(7-9-17)20(21)25/h3-4,6-11,14,22H,5,12-13H2,1-2H3,(H2,21,25)(H,23,24)
InChIKeyJPWMWSNFCCQBCD-UHFFFAOYSA-N
XLogP2.29
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
CID 126368002
3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 895367
N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211041
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2200896
N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 5055466
N-(4-ethylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058950
N-(4-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26701033
4-(3-phenylpropanoylamino)benzamide
CID 675903
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide?
The IUPAC name of 4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide (CID 126185320) is 4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide is CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide?
The InChIKey is JPWMWSNFCCQBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14(2)13-22-28(26,27)18-10-3-15(4-11-18)5-12-19(24)23-17-8-6-16(7-9-17)20(21)25/h3-4,6-11,14,22H,5,12-13H2,1-2H3,(H2,21,25)(H,23,24).
What are the key properties of 4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide?
4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.29, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide is sourced from PubChem (CID 126185320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).