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

C17H20ClN3O3S — CID 3690816

IUPACN-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1Cl
InChIInChI=1S/C17H20ClN3O3S/c1-13-9-10-14(11-16(13)18)19-17(22)12-21(25(23,24)20(2)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyXYHWVYGEESHQOJ-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.90
Rot. Bonds6

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

N-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide (PubChem CID 3690816) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
PubChem CID3690816
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1Cl
InChIInChI=1S/C17H20ClN3O3S/c1-13-9-10-14(11-16(13)18)19-17(22)12-21(25(23,24)20(2)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyXYHWVYGEESHQOJ-UHFFFAOYSA-N
XLogP2.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23537
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
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2-((2-chlorobenzyl)(3-chloro-4-cyanophenyl)amino)-N,N-dimethylpropanamide
CID 45272341
N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
N-(3-chloro-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 237729
N-(3-chloro-4-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892262
N-[2-(3-chloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2535403
N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
CID 4324124
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
2-[N-(dimethylsulfamoyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 2231602

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide (CID 3690816) is N-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide is Cc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The InChIKey is XYHWVYGEESHQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-13-9-10-14(11-16(13)18)19-17(22)12-21(25(23,24)20(2)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide has a molecular weight of 381.89 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 3690816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).