N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide

C17H20N2O4S — CID 41465561

IUPACN-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-23-15-9-7-14(8-10-15)18-17(20)13-6-5-12(2)16(11-13)19-24(3,21)22/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyJENCLRLFZWTAAW-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.02
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide

N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 41465561) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID41465561
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-23-15-9-7-14(8-10-15)18-17(20)13-6-5-12(2)16(11-13)19-24(3,21)22/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyJENCLRLFZWTAAW-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062515
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55992738
N-(4-ethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059851
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-3-nitrobenzamide
CID 26774419
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide (CID 41465561) is N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide is CCOc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is JENCLRLFZWTAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-23-15-9-7-14(8-10-15)18-17(20)13-6-5-12(2)16(11-13)19-24(3,21)22/h5-11,19H,4H2,1-3H3,(H,18,20).
What are the key properties of N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide?
N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 348.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 41465561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).