4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide

C17H20N2O3S — CID 18190078

IUPAC4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-13-6-8-14(9-7-13)17(20)19-15-10-5-12(2)16(11-15)23(21,22)18-3/h5-11,18H,4H2,1-3H3,(H,19,20)
InChIKeyITIFCLQDZUGSRE-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.72
Rot. Bonds5

About 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide

4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide (PubChem CID 18190078) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
PubChem CID18190078
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C17H20N2O3S/c1-4-13-6-8-14(9-7-13)17(20)19-15-10-5-12(2)16(11-15)23(21,22)18-3/h5-11,18H,4H2,1-3H3,(H,19,20)
InChIKeyITIFCLQDZUGSRE-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(2-methylpropyl)benzamide
CID 9107411
3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190067
N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9479404
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide
CID 9107189
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 60646244
5-ethyl-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9479381
5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519772
2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 9107157
4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 39734609
N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297821
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058965

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide (CID 18190078) is 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide is CCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1.
What is the InChIKey of 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is ITIFCLQDZUGSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-13-6-8-14(9-7-13)17(20)19-15-10-5-12(2)16(11-15)23(21,22)18-3/h5-11,18H,4H2,1-3H3,(H,19,20).
What are the key properties of 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 18190078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).