N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide

C18H20F2N2O4S — CID 113144844

IUPACN-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccccc1N(CCC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O
InChIInChI=1S/C18H20F2N2O4S/c1-3-26-17-7-5-4-6-16(17)22(27(2,24)25)11-10-18(23)21-15-9-8-13(19)12-14(15)20/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyMAALGCUAYMVERD-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.16
Rot. Bonds8

About N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide

N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 113144844) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
PubChem CID113144844
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccccc1N(CCC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O
InChIInChI=1S/C18H20F2N2O4S/c1-3-26-17-7-5-4-6-16(17)22(27(2,24)25)11-10-18(23)21-15-9-8-13(19)12-14(15)20/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyMAALGCUAYMVERD-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 126258649
N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 113145992
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide
CID 1303646
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144847
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136791
3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113144790
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144536

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide (CID 113144844) is N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide is CCOc1ccccc1N(CCC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is MAALGCUAYMVERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-3-26-17-7-5-4-6-16(17)22(27(2,24)25)11-10-18(23)21-15-9-8-13(19)12-14(15)20/h4-9,12H,3,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide?
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 398.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113144844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).