ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate

C17H16FNO4S — CID 10545726

IUPACethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1sccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO4S/c1-3-23-14(20)10-19(2)17(22)16-13(8-9-24-16)15(21)11-4-6-12(18)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyRZQUQYFWUHVYDM-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.75
Rot. Bonds6

About ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate

ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate (PubChem CID 10545726) has the molecular formula C17H16FNO4S and a molecular weight of 349.38 g/mol. Its IUPAC name is ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate
PubChem CID10545726
Molecular FormulaC17H16FNO4S
Molecular Weight349.38 g/mol
Exact Mass349.08
IUPAC Nameethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1sccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO4S/c1-3-23-14(20)10-19(2)17(22)16-13(8-9-24-16)15(21)11-4-6-12(18)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyRZQUQYFWUHVYDM-UHFFFAOYSA-N
XLogP2.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2465528
[(Thiophene-2-carbonyl)-amino]-acetic acid 2-oxo-2-p-tolyl-ethyl ester
CID 3158560
N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
CID 24980063
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2400376
3-Hydroxy-1-(2-methoxyethyl)-5-phenyl-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 3147557
[(Thiophene-2-carbonyl)-amino]-acetic acid 2-(4-ethyl-phenyl)-2-oxo-ethyl ester
CID 3158563
5-(2-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2909795
[2-[Benzyl(ethyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2439000
5-(4-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2908691
5-(2-fluorophenyl)-3-hydroxy-1-(2-methoxyethyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2918415
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 18112885
N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
CID 46082636

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate (CID 10545726) is ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate is CCOC(=O)CN(C)C(=O)c1sccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate?
The InChIKey is RZQUQYFWUHVYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4S/c1-3-23-14(20)10-19(2)17(22)16-13(8-9-24-16)15(21)11-4-6-12(18)7-5-11/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate?
ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate has a molecular weight of 349.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(4-fluorobenzoyl)thiophene-2-carbonyl]-methylamino]acetate is sourced from PubChem (CID 10545726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).