N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

C18H21NO5S — CID 3360803

IUPACN-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO5S/c1-3-24-17-7-5-4-6-16(17)19-18(20)12-13-25(21,22)15-10-8-14(23-2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyPOGPVAXLIADTLI-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.90
Rot. Bonds8

About N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 3360803) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID3360803
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO5S/c1-3-24-17-7-5-4-6-16(17)19-18(20)12-13-25(21,22)15-10-8-14(23-2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyPOGPVAXLIADTLI-UHFFFAOYSA-N
XLogP2.90
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
N-hydroxy-4-(4-(4-(4-methoxyphenylamino)-4-oxobutoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 54583712
Acetamide, N-(2,5-dimethoxyphenyl)-2-phenylthio-
CID 532046
Acetamide, N-[5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl]-
CID 13651552
N-(2-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 670141
2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
2-[(4-fluorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486369
[2-(4-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2380163
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 3354639
N-(2,5-dimethoxyphenyl)-4-phenylsulfanylbutanamide
CID 4826814
N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 5072004
3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2166593

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (CID 3360803) is N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is POGPVAXLIADTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-3-24-17-7-5-4-6-16(17)19-18(20)12-13-25(21,22)15-10-8-14(23-2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 363.44 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 3360803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).