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

C18H20F2N2O4S — CID 113144923

IUPACN-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N(CCC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20F2N2O4S/c1-3-26-15-7-5-14(6-8-15)22(27(2,24)25)11-10-18(23)21-13-4-9-16(19)17(20)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyMTOUTIMCJOBDGO-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.16
Rot. Bonds8

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

N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 113144923) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide
PubChem CID113144923
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(N(CCC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20F2N2O4S/c1-3-26-15-7-5-14(6-8-15)22(27(2,24)25)11-10-18(23)21-13-4-9-16(19)17(20)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyMTOUTIMCJOBDGO-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-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144896
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143620
N-(3,4-difluorophenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143195
N-(3,4-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613478
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)butanamide
CID 53280923
N-(1,3-benzodioxol-5-yl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147284
N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131515
N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280
3-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113142208

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide (CID 113144923) is N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide is CCOc1ccc(N(CCC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is MTOUTIMCJOBDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-3-26-15-7-5-14(6-8-15)22(27(2,24)25)11-10-18(23)21-13-4-9-16(19)17(20)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide?
N-(3,4-difluorophenyl)-3-(4-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-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113144923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).