(2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate

C19H14FNO3S — CID 7888664

IUPAC(2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
SMILESO=C(OCc1ccccc1F)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H14FNO3S/c20-16-8-2-1-5-14(16)12-24-19(23)13-6-3-7-15(11-13)21-18(22)17-9-4-10-25-17/h1-11H,12H2,(H,21,22)
InChIKeyMDQAJBBHKJXNIP-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.50
Rot. Bonds5

About (2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate

(2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate (PubChem CID 7888664) has the molecular formula C19H14FNO3S and a molecular weight of 355.39 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
PubChem CID7888664
Molecular FormulaC19H14FNO3S
Molecular Weight355.39 g/mol
Exact Mass355.07
IUPAC Name(2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
SMILESO=C(OCc1ccccc1F)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H14FNO3S/c20-16-8-2-1-5-14(16)12-24-19(23)13-6-3-7-15(11-13)21-18(22)17-9-4-10-25-17/h1-11H,12H2,(H,21,22)
InChIKeyMDQAJBBHKJXNIP-UHFFFAOYSA-N
XLogP4.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491975
(2-methoxy-5-methylphenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 7644966
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 8597757
[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30817856
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888732
imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492119
[2-(3-chloroanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491904
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
2-(4-ethoxyphenoxy)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492050
[(2S)-1-amino-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 8597716
2-(4-methoxyphenyl)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492077
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 33065558

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of (2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate (CID 7888664) is (2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate is O=C(OCc1ccccc1F)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of (2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is MDQAJBBHKJXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3S/c20-16-8-2-1-5-14(16)12-24-19(23)13-6-3-7-15(11-13)21-18(22)17-9-4-10-25-17/h1-11H,12H2,(H,21,22).
What are the key properties of (2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate?
(2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 355.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 7888664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).