3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide

C20H25N3O4S — CID 17191568

IUPAC3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-3-12-22-28(26,27)18-9-7-17(8-10-18)23-19(24)11-13-21-20(25)16-6-4-5-15(2)14-16/h4-10,14,22H,3,11-13H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyDDAVMLOIKQTDGZ-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.44
Rot. Bonds9

About 3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide

3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide (PubChem CID 17191568) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide
PubChem CID17191568
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-3-12-22-28(26,27)18-9-7-17(8-10-18)23-19(24)11-13-21-20(25)16-6-4-5-15(2)14-16/h4-10,14,22H,3,11-13H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyDDAVMLOIKQTDGZ-UHFFFAOYSA-N
XLogP2.44
TPSA104.37 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 ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(cyclohexylsulfamoyl)anilino]-3-oxopropyl]-3-methylbenzamide
CID 17191539
N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191376
4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
CID 55948759
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
3-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108573729
N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide
CID 26852039
4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
CID 109057844
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26213288
3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55898611

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide?
The IUPAC name of 3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide (CID 17191568) is 3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide is CCCNS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide?
The InChIKey is DDAVMLOIKQTDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-3-12-22-28(26,27)18-9-7-17(8-10-18)23-19(24)11-13-21-20(25)16-6-4-5-15(2)14-16/h4-10,14,22H,3,11-13H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide?
3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide is sourced from PubChem (CID 17191568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).