2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide

C18H23N3O3S — CID 9100484

IUPAC2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C18H23N3O3S/c1-13-5-8-15(9-6-13)20-18(22)12-19-17-11-16(10-7-14(17)2)25(23,24)21(3)4/h5-11,19H,12H2,1-4H3,(H,20,22)
InChIKeyDOYPPOCYLNBCCE-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.60
Rot. Bonds6

About 2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide

2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide (PubChem CID 9100484) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
PubChem CID9100484
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C18H23N3O3S/c1-13-5-8-15(9-6-13)20-18(22)12-19-17-11-16(10-7-14(17)2)25(23,24)21(3)4/h5-11,19H,12H2,1-4H3,(H,20,22)
InChIKeyDOYPPOCYLNBCCE-UHFFFAOYSA-N
XLogP2.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100477
N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100574
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100613
2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4789173
2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55345425
N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
CID 38255563
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9100235
2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 9099689

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide (CID 9100484) is 2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide?
The InChIKey is DOYPPOCYLNBCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-5-8-15(9-6-13)20-18(22)12-19-17-11-16(10-7-14(17)2)25(23,24)21(3)4/h5-11,19H,12H2,1-4H3,(H,20,22).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide?
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9100484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).