N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide

C18H21FN2O4S — CID 113145992

IUPACN-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O4S/c1-3-25-17-10-5-4-9-16(17)20-18(22)11-12-21(26(2,23)24)15-8-6-7-14(19)13-15/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyDGHAXYOFDGZGBY-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.02
Rot. Bonds8

About N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide

N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 113145992) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID113145992
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O4S/c1-3-25-17-10-5-4-9-16(17)20-18(22)11-12-21(26(2,23)24)15-8-6-7-14(19)13-15/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyDGHAXYOFDGZGBY-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide 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

4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide
CID 53287913
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
N-(2-ethoxyphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30259950
3-(3-fluoro-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113146018
3-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113145922
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
3-(3-cyano-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
CID 113146908
N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109039794
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113071507
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide (CID 113145992) is N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide is CCOc1ccccc1NC(=O)CCN(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is DGHAXYOFDGZGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-3-25-17-10-5-4-9-16(17)20-18(22)11-12-21(26(2,23)24)15-8-6-7-14(19)13-15/h4-10,13H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide?
N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 380.44 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113145992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).