3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide

C18H21FN2O4S — CID 113144836

IUPAC3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
SMILESCCOc1ccccc1N(CCC(=O)Nc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O4S/c1-3-25-17-7-5-4-6-16(17)21(26(2,23)24)13-12-18(22)20-15-10-8-14(19)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyJPGKSDMHMOPFAP-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.02
Rot. Bonds8

About 3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide

3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide (PubChem CID 113144836) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
PubChem CID113144836
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
SMILESCCOc1ccccc1N(CCC(=O)Nc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O4S/c1-3-25-17-7-5-4-6-16(17)21(26(2,23)24)13-12-18(22)20-15-10-8-14(19)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyJPGKSDMHMOPFAP-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 3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)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

N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144847
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287763
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144019
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113144790
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287797

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide (CID 113144836) is 3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide is CCOc1ccccc1N(CCC(=O)Nc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
The InChIKey is JPGKSDMHMOPFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-3-25-17-7-5-4-6-16(17)21(26(2,23)24)13-12-18(22)20-15-10-8-14(19)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide?
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)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 3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 113144836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).