4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide

C18H21N3O4S — CID 9441778

IUPAC4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1
InChIInChI=1S/C18H21N3O4S/c1-12-3-8-16(13(2)11-12)26(24,25)20-10-9-17(22)21-15-6-4-14(5-7-15)18(19)23/h3-8,11,20H,9-10H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyRWPAMILBEFJJAG-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.71
Rot. Bonds7

About 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide

4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide (PubChem CID 9441778) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
PubChem CID9441778
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1
InChIInChI=1S/C18H21N3O4S/c1-12-3-8-16(13(2)11-12)26(24,25)20-10-9-17(22)21-15-6-4-14(5-7-15)18(19)23/h3-8,11,20H,9-10H2,1-2H3,(H2,19,23)(H,21,22)
InChIKeyRWPAMILBEFJJAG-UHFFFAOYSA-N
XLogP1.71
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441797
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 78792146
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 8849984
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924823
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55846962
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639564
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17443745

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide (CID 9441778) is 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1.
What is the InChIKey of 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide?
The InChIKey is RWPAMILBEFJJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12-3-8-16(13(2)11-12)26(24,25)20-10-9-17(22)21-15-6-4-14(5-7-15)18(19)23/h3-8,11,20H,9-10H2,1-2H3,(H2,19,23)(H,21,22).
What are the key properties of 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide?
4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide has a molecular weight of 375.45 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide is sourced from PubChem (CID 9441778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).