4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide

C17H20N2O3S — CID 51163080

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-18-17(20)14-6-8-15(9-7-14)19-23(21,22)16-10-5-12(2)13(3)11-16/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyBICSLOVIUDXPCS-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.85
Rot. Bonds5

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide (PubChem CID 51163080) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
PubChem CID51163080
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-18-17(20)14-6-8-15(9-7-14)19-23(21,22)16-10-5-12(2)13(3)11-16/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyBICSLOVIUDXPCS-UHFFFAOYSA-N
XLogP2.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide
CID 46388152
propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
CID 56536549
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate
CID 9068493
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide
CID 46651145
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835624
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 55658123
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide
CID 26886474
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide
CID 26684839
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide (CID 51163080) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide is CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide?
The InChIKey is BICSLOVIUDXPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-18-17(20)14-6-8-15(9-7-14)19-23(21,22)16-10-5-12(2)13(3)11-16/h5-11,19H,4H2,1-3H3,(H,18,20).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide is sourced from PubChem (CID 51163080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).