N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide

C24H25FN2O4S2 — CID 30273782

IUPACN-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1CNC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C24H25FN2O4S2/c1-3-31-23-10-5-4-7-18(23)16-26-24(28)17-27(20-9-6-8-19(25)15-20)33(29,30)22-13-11-21(32-2)12-14-22/h4-15H,3,16-17H2,1-2H3,(H,26,28)
InChIKeyHIXNCSJJPYWRAP-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.46
Rot. Bonds10

About N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide

N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide (PubChem CID 30273782) has the molecular formula C24H25FN2O4S2 and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
PubChem CID30273782
Molecular FormulaC24H25FN2O4S2
Molecular Weight488.61 g/mol
Exact Mass488.12
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1CNC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C24H25FN2O4S2/c1-3-31-23-10-5-4-7-18(23)16-26-24(28)17-27(20-9-6-8-19(25)15-20)33(29,30)22-13-11-21(32-2)12-14-22/h4-15H,3,16-17H2,1-2H3,(H,26,28)
InChIKeyHIXNCSJJPYWRAP-UHFFFAOYSA-N
XLogP4.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 46769210
N-(2-ethoxyphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30259950
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 53280241
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30304171
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 30263816
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 43901392
2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 31254367
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 30303626
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 30266187
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 43899996
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280258
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 30263009

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide (CID 30273782) is N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide is CCOc1ccccc1CNC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The InChIKey is HIXNCSJJPYWRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S2/c1-3-31-23-10-5-4-7-18(23)16-26-24(28)17-27(20-9-6-8-19(25)15-20)33(29,30)22-13-11-21(32-2)12-14-22/h4-15H,3,16-17H2,1-2H3,(H,26,28).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide has a molecular weight of 488.61 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30273782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).