N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide

C20H24N2O5S — CID 55383995

IUPACN-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C20H24N2O5S/c1-4-22(14-19(23)21-15-9-8-10-16(13-15)27-3)20(24)17-11-6-7-12-18(17)28(25,26)5-2/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyIRYILYYZUCKTLR-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.59
Rot. Bonds8

About N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide

N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide (PubChem CID 55383995) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
PubChem CID55383995
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C20H24N2O5S/c1-4-22(14-19(23)21-15-9-8-10-16(13-15)27-3)20(24)17-11-6-7-12-18(17)28(25,26)5-2/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyIRYILYYZUCKTLR-UHFFFAOYSA-N
XLogP2.59
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55344386
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
3-(dipropylsulfamoyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 4832393
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 60618248
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 7958649
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 120559009
2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide
CID 119729089

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide (CID 55383995) is N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccccc1S(=O)(=O)CC.
What is the InChIKey of N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is IRYILYYZUCKTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-4-22(14-19(23)21-15-9-8-10-16(13-15)27-3)20(24)17-11-6-7-12-18(17)28(25,26)5-2/h6-13H,4-5,14H2,1-3H3,(H,21,23).
What are the key properties of N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide?
N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 55383995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).