N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide

C20H25FN2O5S — CID 46534955

IUPACN-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2C)cc1OCC
InChIInChI=1S/C20H25FN2O5S/c1-5-27-17-9-8-16(12-18(17)28-6-2)22-20(24)13-23(4)29(25,26)19-10-7-15(21)11-14(19)3/h7-12H,5-6,13H2,1-4H3,(H,22,24)
InChIKeyVIMFUFAKOYKBJR-UHFFFAOYSA-N
MW424.49 g/mol
LogP3.19
Rot. Bonds9

About N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide

N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 46534955) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
PubChem CID46534955
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC NameN-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2C)cc1OCC
InChIInChI=1S/C20H25FN2O5S/c1-5-27-17-9-8-16(12-18(17)28-6-2)22-20(24)13-23(4)29(25,26)19-10-7-15(21)11-14(19)3/h7-12H,5-6,13H2,1-4H3,(H,22,24)
InChIKeyVIMFUFAKOYKBJR-UHFFFAOYSA-N
XLogP3.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 41446708
N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4820945
N-(3,4-diethoxyphenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetamide
CID 29375272
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 31185812
N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide
CID 46807825
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 100781042
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658528
(E)-3-(3,4-diethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9440936
N-(4-ethoxyphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 2989117
N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046452

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide (CID 46534955) is N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide is CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2C)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is VIMFUFAKOYKBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-5-27-17-9-8-16(12-18(17)28-6-2)22-20(24)13-23(4)29(25,26)19-10-7-15(21)11-14(19)3/h7-12H,5-6,13H2,1-4H3,(H,22,24).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide?
N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 424.49 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 46534955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).