2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide

C17H21N3O3S2 — CID 2229921

IUPAC2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H21N3O3S2/c1-19(2)25(22,23)20(15-9-5-4-6-10-15)13-17(21)18-14-8-7-11-16(12-14)24-3/h4-12H,13H2,1-3H3,(H,18,21)
InChIKeyKTKNTRYZJYWZQC-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.66
Rot. Bonds7

About 2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide

2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 2229921) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID2229921
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H21N3O3S2/c1-19(2)25(22,23)20(15-9-5-4-6-10-15)13-17(21)18-14-8-7-11-16(12-14)24-3/h4-12H,13H2,1-3H3,(H,18,21)
InChIKeyKTKNTRYZJYWZQC-UHFFFAOYSA-N
XLogP2.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide (CID 2229921) is 2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is KTKNTRYZJYWZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-19(2)25(22,23)20(15-9-5-4-6-10-15)13-17(21)18-14-8-7-11-16(12-14)24-3/h4-12H,13H2,1-3H3,(H,18,21).
What are the key properties of 2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide?
2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)anilino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2229921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).