N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide

C17H21N3O3S — CID 51178270

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C17H21N3O3S/c1-13-6-4-7-14(10-13)18-12-17(21)19-15-8-5-9-16(11-15)24(22,23)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21)
InChIKeyZYMSNFSCDDZXBY-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.30
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide (PubChem CID 51178270) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
PubChem CID51178270
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C17H21N3O3S/c1-13-6-4-7-14(10-13)18-12-17(21)19-15-8-5-9-16(11-15)24(22,23)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21)
InChIKeyZYMSNFSCDDZXBY-UHFFFAOYSA-N
XLogP2.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)propanamide
CID 51277442
2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide
CID 9084353
2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 42125792
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide (CID 51178270) is N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide is Cc1cccc(NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide?
The InChIKey is ZYMSNFSCDDZXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-6-4-7-14(10-13)18-12-17(21)19-15-8-5-9-16(11-15)24(22,23)20(2)3/h4-11,18H,12H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide is sourced from PubChem (CID 51178270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).