N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide

C19H24N2O3S2 — CID 26521121

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2SC)ccc1C
InChIInChI=1S/C19H24N2O3S2/c1-5-21(6-2)26(23,24)18-13-15(12-11-14(18)3)20-19(22)16-9-7-8-10-17(16)25-4/h7-13H,5-6H2,1-4H3,(H,20,22)
InChIKeyXPWITYPWLVBYBL-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.00
Rot. Bonds7

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide (PubChem CID 26521121) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
PubChem CID26521121
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2SC)ccc1C
InChIInChI=1S/C19H24N2O3S2/c1-5-21(6-2)26(23,24)18-13-15(12-11-14(18)3)20-19(22)16-9-7-8-10-17(16)25-4/h7-13H,5-6H2,1-4H3,(H,20,22)
InChIKeyXPWITYPWLVBYBL-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 119943661
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
CID 112725117
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide
CID 36771575
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 46489174
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 30880575
N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide
CID 17457217
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 18230489

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide (CID 26521121) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccccc2SC)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide?
The InChIKey is XPWITYPWLVBYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-5-21(6-2)26(23,24)18-13-15(12-11-14(18)3)20-19(22)16-9-7-8-10-17(16)25-4/h7-13H,5-6H2,1-4H3,(H,20,22).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide has a molecular weight of 392.55 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 26521121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).