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

C18H20N4O3S — CID 9100574

IUPACN-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H20N4O3S/c1-13-4-9-16(26(24,25)22(2)3)10-17(13)20-12-18(23)21-15-7-5-14(11-19)6-8-15/h4-10,20H,12H2,1-3H3,(H,21,23)
InChIKeyWOGSWGSQWSGVMF-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.17
Rot. Bonds6

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

N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide (PubChem CID 9100574) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
PubChem CID9100574
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H20N4O3S/c1-13-4-9-16(26(24,25)22(2)3)10-17(13)20-12-18(23)21-15-7-5-14(11-19)6-8-15/h4-10,20H,12H2,1-3H3,(H,21,23)
InChIKeyWOGSWGSQWSGVMF-UHFFFAOYSA-N
XLogP2.17
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100477
N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100613
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7929166
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
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-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4789173
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide (CID 9100574) is N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
The InChIKey is WOGSWGSQWSGVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13-4-9-16(26(24,25)22(2)3)10-17(13)20-12-18(23)21-15-7-5-14(11-19)6-8-15/h4-10,20H,12H2,1-3H3,(H,21,23).
What are the key properties of N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide is sourced from PubChem (CID 9100574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).