2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

C17H20ClN3O3S — CID 4789173

IUPAC2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O3S/c1-12-4-9-16(15(18)10-12)19-11-17(22)20-13-5-7-14(8-6-13)25(23,24)21(2)3/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyYPEADWOBJDZBEH-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.95
Rot. Bonds6

About 2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4789173) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4789173
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O3S/c1-12-4-9-16(15(18)10-12)19-11-17(22)20-13-5-7-14(8-6-13)25(23,24)21(2)3/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyYPEADWOBJDZBEH-UHFFFAOYSA-N
XLogP2.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 9099689
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9099375
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
2-(2-chloro-4-methylanilino)-N-(3,5-difluorophenyl)acetamide
CID 42026444
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide
CID 16553113
N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100477
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2616332
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026326

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 4789173) is 2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is Cc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is YPEADWOBJDZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-12-4-9-16(15(18)10-12)19-11-17(22)20-13-5-7-14(8-6-13)25(23,24)21(2)3/h4-10,19H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 381.89 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4789173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).