3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide

C16H18N2O3S2 — CID 27365149

IUPAC3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(SC)cc2)c1
InChIInChI=1S/C16H18N2O3S2/c1-3-17-23(20,21)15-6-4-5-12(11-15)16(19)18-13-7-9-14(22-2)10-8-13/h4-11,17H,3H2,1-2H3,(H,18,19)
InChIKeyGREPZQNHOSKEKC-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.96
Rot. Bonds6

About 3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide

3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 27365149) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
PubChem CID27365149
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(SC)cc2)c1
InChIInChI=1S/C16H18N2O3S2/c1-3-17-23(20,21)15-6-4-5-12(11-15)16(19)18-13-7-9-14(22-2)10-8-13/h4-11,17H,3H2,1-2H3,(H,18,19)
InChIKeyGREPZQNHOSKEKC-UHFFFAOYSA-N
XLogP2.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9179911
3-(ethylsulfamoyl)-N-(3-iodophenyl)benzamide
CID 31528390
3-(ethylsulfamoyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167522
3-(ethylsulfamoyl)-N-[4-(oxetan-3-yloxy)phenyl]benzamide
CID 86817672
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954
N-(4-methylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062704
3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26698365
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide
CID 55768437
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide (CID 27365149) is 3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(SC)cc2)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is GREPZQNHOSKEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-3-17-23(20,21)15-6-4-5-12(11-15)16(19)18-13-7-9-14(22-2)10-8-13/h4-11,17H,3H2,1-2H3,(H,18,19).
What are the key properties of 3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide?
3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 350.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 27365149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).