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

C18H19ClN4O3S — CID 9100613

IUPACN-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C18H19ClN4O3S/c1-12-4-7-15(27(25,26)23(2)3)9-17(12)21-11-18(24)22-14-6-5-13(10-20)16(19)8-14/h4-9,21H,11H2,1-3H3,(H,22,24)
InChIKeyMNCLFRKXABINAY-UHFFFAOYSA-N
MW406.90 g/mol
LogP2.82
Rot. Bonds6

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

N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide (PubChem CID 9100613) has the molecular formula C18H19ClN4O3S and a molecular weight of 406.90 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
PubChem CID9100613
Molecular FormulaC18H19ClN4O3S
Molecular Weight406.90 g/mol
Exact Mass406.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C18H19ClN4O3S/c1-12-4-7-15(27(25,26)23(2)3)9-17(12)21-11-18(24)22-14-6-5-13(10-20)16(19)8-14/h4-9,21H,11H2,1-3H3,(H,22,24)
InChIKeyMNCLFRKXABINAY-UHFFFAOYSA-N
XLogP2.82
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide (CID 9100613) is N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
The InChIKey is MNCLFRKXABINAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S/c1-12-4-7-15(27(25,26)23(2)3)9-17(12)21-11-18(24)22-14-6-5-13(10-20)16(19)8-14/h4-9,21H,11H2,1-3H3,(H,22,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide has a molecular weight of 406.90 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide is sourced from PubChem (CID 9100613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).