4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide

C18H22N2O3S — CID 110779528

IUPAC4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
SMILESCCc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-14-5-7-15(8-6-14)13-19-18(21)16-9-11-17(12-10-16)24(22,23)20(2)3/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeySJFQESAUUUJYPI-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.43
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide

4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide (PubChem CID 110779528) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
PubChem CID110779528
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
SMILESCCc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-14-5-7-15(8-6-14)13-19-18(21)16-9-11-17(12-10-16)24(22,23)20(2)3/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeySJFQESAUUUJYPI-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9194509
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide
CID 119048571
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 87008194
4-(dimethylsulfamoyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588864
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide
CID 46974468
4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide
CID 55812224
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide (CID 110779528) is 4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide is CCc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide?
The InChIKey is SJFQESAUUUJYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-14-5-7-15(8-6-14)13-19-18(21)16-9-11-17(12-10-16)24(22,23)20(2)3/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of 4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide is sourced from PubChem (CID 110779528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).