N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide

C18H22ClN3O3S — CID 9100486

IUPACN-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
SMILESCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-12-5-7-14(9-16(12)19)21-18(23)11-20-17-10-15(8-6-13(17)2)26(24,25)22(3)4/h5-10,20H,11H2,1-4H3,(H,21,23)
InChIKeyDJQIZNJRURRYIB-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.26
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide

N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide (PubChem CID 9100486) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
PubChem CID9100486
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
SMILESCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-12-5-7-14(9-16(12)19)21-18(23)11-20-17-10-15(8-6-13(17)2)26(24,25)22(3)4/h5-10,20H,11H2,1-4H3,(H,21,23)
InChIKeyDJQIZNJRURRYIB-UHFFFAOYSA-N
XLogP3.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100613
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100477
N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100574
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4789173
N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
CID 38255563
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9100235
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-methylacetamide
CID 26508658
2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 55345496

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide (CID 9100486) is N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide is Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
The InChIKey is DJQIZNJRURRYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-12-5-7-14(9-16(12)19)21-18(23)11-20-17-10-15(8-6-13(17)2)26(24,25)22(3)4/h5-10,20H,11H2,1-4H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide has a molecular weight of 395.91 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide is sourced from PubChem (CID 9100486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).