N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

C18H22N2O3S — CID 4986521

IUPACN-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-4-7-16(8-5-13)24(22,23)19-11-10-18(21)20-17-9-6-14(2)12-15(17)3/h4-9,12,19H,10-11H2,1-3H3,(H,20,21)
InChIKeyWTLVKCJKJCEDCJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.92
Rot. Bonds6

About N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 4986521) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID4986521
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-4-7-16(8-5-13)24(22,23)19-11-10-18(21)20-17-9-6-14(2)12-15(17)3/h4-9,12,19H,10-11H2,1-3H3,(H,20,21)
InChIKeyWTLVKCJKJCEDCJ-UHFFFAOYSA-N
XLogP2.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610
N-(2,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 112996402
3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 26687643
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17225649
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168521
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 24540770
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061283

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 4986521) is N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is WTLVKCJKJCEDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-4-7-16(8-5-13)24(22,23)19-11-10-18(21)20-17-9-6-14(2)12-15(17)3/h4-9,12,19H,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 4986521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).