2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate

C17H16FNO3S — CID 86937892

IUPAC2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
SMILESO=C(OCCc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C17H16FNO3S/c18-13-5-1-11(2-6-13)9-10-22-17(21)14-7-8-15(23-14)19-16(20)12-3-4-12/h1-2,5-8,12H,3-4,9-10H2,(H,19,20)
InChIKeyZGVZAZSAVYGONR-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.64
Rot. Bonds6

About 2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate

2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate (PubChem CID 86937892) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Name2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
PubChem CID86937892
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
SMILESO=C(OCCc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C17H16FNO3S/c18-13-5-1-11(2-6-13)9-10-22-17(21)14-7-8-15(23-14)19-16(20)12-3-4-12/h1-2,5-8,12H,3-4,9-10H2,(H,19,20)
InChIKeyZGVZAZSAVYGONR-UHFFFAOYSA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 25487382
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 24671197
N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86891991
N-[(4-bromo-3-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86868025
(4-methoxycarbonylphenyl) 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 16582580
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
CID 60712496
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 18209373
(3-bromophenyl) 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 86915162
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 24671196
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate?
The IUPAC name of 2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate (CID 86937892) is 2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for 2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate?
The canonical SMILES for 2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate is O=C(OCCc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate?
The InChIKey is ZGVZAZSAVYGONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S/c18-13-5-1-11(2-6-13)9-10-22-17(21)14-7-8-15(23-14)19-16(20)12-3-4-12/h1-2,5-8,12H,3-4,9-10H2,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate?
2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate has a molecular weight of 333.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 86937892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).