(2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

C16H14ClFN2O4S — CID 2203573

IUPAC(2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)OCc1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFN2O4S/c17-11-3-1-4-12(18)10(11)9-24-15(22)8-19-14(21)7-20-16(23)13-5-2-6-25-13/h1-6H,7-9H2,(H,19,21)(H,20,23)
InChIKeyUFAICOAMXFQPHU-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.13
Rot. Bonds7

About (2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

(2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (PubChem CID 2203573) has the molecular formula C16H14ClFN2O4S and a molecular weight of 384.82 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
PubChem CID2203573
Molecular FormulaC16H14ClFN2O4S
Molecular Weight384.82 g/mol
Exact Mass384.03
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)OCc1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFN2O4S/c17-11-3-1-4-12(18)10(11)9-24-15(22)8-19-14(21)7-20-16(23)13-5-2-6-25-13/h1-6H,7-9H2,(H,19,21)(H,20,23)
InChIKeyUFAICOAMXFQPHU-UHFFFAOYSA-N
XLogP2.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(Thiophene-2-carbonyl)-amino]-acetic acid 4-chloro-benzyl ester
CID 755838
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2428702
Benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate
CID 24819879
{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 4-chloro-benzyl ester
CID 1619220
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 2079210
(4-Fluorophenyl)methyl 2-{2-[(thiophen-2-YL)formamido]acetamido}acetate
CID 3158551
{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2-chloro-benzyl ester
CID 3158554
methyl 4-({[N-(2-thienylcarbonyl)glycyl]oxy}methyl)benzoate
CID 894944
[(Thiophene-2-carbonyl)-amino]-acetic acid 2-chloro-6-fluoro-benzyl ester
CID 954147
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
CID 2364548
[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270646
2-bromobenzyl N-(2-thienylcarbonyl)glycylglycinate
CID 2233124

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (CID 2203573) is (2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is O=C(CNC(=O)c1cccs1)NCC(=O)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is UFAICOAMXFQPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O4S/c17-11-3-1-4-12(18)10(11)9-24-15(22)8-19-14(21)7-20-16(23)13-5-2-6-25-13/h1-6H,7-9H2,(H,19,21)(H,20,23).
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
(2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 384.82 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 2203573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).