N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide

C17H20ClN3O4S — CID 2972538

IUPACN-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-20(2)26(23,24)21(14-7-5-4-6-8-14)12-17(22)19-13-9-10-16(25-3)15(18)11-13/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyOQNHWHBOTASBJA-UHFFFAOYSA-N
MW397.88 g/mol
LogP2.60
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide (PubChem CID 2972538) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
PubChem CID2972538
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-20(2)26(23,24)21(14-7-5-4-6-8-14)12-17(22)19-13-9-10-16(25-3)15(18)11-13/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyOQNHWHBOTASBJA-UHFFFAOYSA-N
XLogP2.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide (CID 2972538) is N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide is COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The InChIKey is OQNHWHBOTASBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-20(2)26(23,24)21(14-7-5-4-6-8-14)12-17(22)19-13-9-10-16(25-3)15(18)11-13/h4-11H,12H2,1-3H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide has a molecular weight of 397.88 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 2972538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).