[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate

C17H17FN2O4S — CID 35294378

IUPAC[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate
SMILESO=C(COC(=O)CCNC(=O)c1cccs1)NCc1ccccc1F
InChIInChI=1S/C17H17FN2O4S/c18-13-5-2-1-4-12(13)10-20-15(21)11-24-16(22)7-8-19-17(23)14-6-3-9-25-14/h1-6,9H,7-8,10-11H2,(H,19,23)(H,20,21)
InChIKeyGCOUEEXDTFWOBU-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.87
Rot. Bonds8

About [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate (PubChem CID 35294378) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate
PubChem CID35294378
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate
SMILESO=C(COC(=O)CCNC(=O)c1cccs1)NCc1ccccc1F
InChIInChI=1S/C17H17FN2O4S/c18-13-5-2-1-4-12(13)10-20-15(21)11-24-16(22)7-8-19-17(23)14-6-3-9-25-14/h1-6,9H,7-8,10-11H2,(H,19,23)(H,20,21)
InChIKeyGCOUEEXDTFWOBU-UHFFFAOYSA-N
XLogP1.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 9491805
[2-(benzylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2465528
[2-oxo-2-[2-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]ethylamino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 16540287
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808388
butyl 3-(thiophene-2-carbonylamino)propanoate
CID 91704806
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 8579171
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate
CID 43027083
2-(2-chlorophenoxy)ethyl 3-(thiophene-2-carbonylamino)propanoate
CID 31741424
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 34182625

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate (CID 35294378) is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate is O=C(COC(=O)CCNC(=O)c1cccs1)NCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate?
The InChIKey is GCOUEEXDTFWOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c18-13-5-2-1-4-12(13)10-20-15(21)11-24-16(22)7-8-19-17(23)14-6-3-9-25-14/h1-6,9H,7-8,10-11H2,(H,19,23)(H,20,21).
What are the key properties of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate?
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate has a molecular weight of 364.40 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 35294378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).