N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide

C19H22N2O4S — CID 55782447

IUPACN-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2S(=O)(=O)CC)c1
InChIInChI=1S/C19H22N2O4S/c1-4-20-18(22)14-11-10-13(3)16(12-14)21-19(23)15-8-6-7-9-17(15)26(24,25)5-2/h6-12H,4-5H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJAGDKJOJDGXNMV-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.79
Rot. Bonds6

About N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide

N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide (PubChem CID 55782447) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide
PubChem CID55782447
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2S(=O)(=O)CC)c1
InChIInChI=1S/C19H22N2O4S/c1-4-20-18(22)14-11-10-13(3)16(12-14)21-19(23)15-8-6-7-9-17(15)26(24,25)5-2/h6-12H,4-5H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJAGDKJOJDGXNMV-UHFFFAOYSA-N
XLogP2.79
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641
3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 55782441
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
CID 110895294
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-methoxy-4-methylbenzamide
CID 136533897
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55687228
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide?
The IUPAC name of N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide (CID 55782447) is N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide.
What is the SMILES notation for N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide?
The canonical SMILES for N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2S(=O)(=O)CC)c1.
What is the InChIKey of N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide?
The InChIKey is JAGDKJOJDGXNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-20-18(22)14-11-10-13(3)16(12-14)21-19(23)15-8-6-7-9-17(15)26(24,25)5-2/h6-12H,4-5H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide?
N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide has a molecular weight of 374.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide is sourced from PubChem (CID 55782447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).