N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide

C17H20N2O3S2 — CID 46689087

IUPACN-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C17H20N2O3S2/c1-12(2)19-24(21,22)14-8-6-7-13(11-14)17(20)18-15-9-4-5-10-16(15)23-3/h4-12,19H,1-3H3,(H,18,20)
InChIKeyXZXKPDBSGQHRTM-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.35
Rot. Bonds6

About N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide

N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46689087) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID46689087
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1
InChIInChI=1S/C17H20N2O3S2/c1-12(2)19-24(21,22)14-8-6-7-13(11-14)17(20)18-15-9-4-5-10-16(15)23-3/h4-12,19H,1-3H3,(H,18,20)
InChIKeyXZXKPDBSGQHRTM-UHFFFAOYSA-N
XLogP3.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 109062122
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55672416
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26691619
2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
CID 29477109
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772
N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064640

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 46689087) is N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide is CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is XZXKPDBSGQHRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-12(2)19-24(21,22)14-8-6-7-13(11-14)17(20)18-15-9-4-5-10-16(15)23-3/h4-12,19H,1-3H3,(H,18,20).
What are the key properties of N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46689087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).