[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C17H16FNO5S — CID 18285612

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C17H16FNO5S/c1-10-3-6-15(25-10)17(22)19-8-16(21)24-9-13(20)12-7-11(18)4-5-14(12)23-2/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyRPQYVPNMEXJUKR-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.36
Rot. Bonds7

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 18285612) has the molecular formula C17H16FNO5S and a molecular weight of 365.38 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID18285612
Molecular FormulaC17H16FNO5S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C17H16FNO5S/c1-10-3-6-15(25-10)17(22)19-8-16(21)24-9-13(20)12-7-11(18)4-5-14(12)23-2/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyRPQYVPNMEXJUKR-UHFFFAOYSA-N
XLogP2.36
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807725
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884609
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905848
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7629034
(2-bromo-4-fluorophenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18270512
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18145228
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4036905
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 34306220
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16611351
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate
CID 18158808
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18229368

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 18285612) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is COc1ccc(F)cc1C(=O)COC(=O)CNC(=O)c1ccc(C)s1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is RPQYVPNMEXJUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5S/c1-10-3-6-15(25-10)17(22)19-8-16(21)24-9-13(20)12-7-11(18)4-5-14(12)23-2/h3-7H,8-9H2,1-2H3,(H,19,22).
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 365.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 18285612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).