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

C16H18N2O3S2 — CID 9179911

IUPAC4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(SC)cc2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-3-17-23(20,21)15-10-4-12(5-11-15)16(19)18-13-6-8-14(22-2)9-7-13/h4-11,17H,3H2,1-2H3,(H,18,19)
InChIKeyDOPUPRSOAGOLTC-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.96
Rot. Bonds6

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

4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 9179911) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
PubChem CID9179911
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(SC)cc2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-3-17-23(20,21)15-10-4-12(5-11-15)16(19)18-13-6-8-14(22-2)9-7-13/h4-11,17H,3H2,1-2H3,(H,18,19)
InChIKeyDOPUPRSOAGOLTC-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

3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 27365149
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
4-(ethylsulfamoyl)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 46518600
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 46584652
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide
CID 2229397
N-(3,4-dimethylphenyl)-4-(ethylsulfamoyl)benzamide
CID 9416096

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide (CID 9179911) is 4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide is CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(SC)cc2)cc1.
What is the InChIKey of 4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is DOPUPRSOAGOLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-3-17-23(20,21)15-10-4-12(5-11-15)16(19)18-13-6-8-14(22-2)9-7-13/h4-11,17H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide?
4-(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 4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 9179911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).