ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate

C22H20FNO3S — CID 46086650

IUPACethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)c2ccccc2)sc1NC(=O)c1ccccc1F
InChIInChI=1S/C22H20FNO3S/c1-3-27-22(26)17-13-19(14(2)15-9-5-4-6-10-15)28-21(17)24-20(25)16-11-7-8-12-18(16)23/h4-14H,3H2,1-2H3,(H,24,25)
InChIKeyCWSDUSLPIGUFSH-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.47
Rot. Bonds6

About ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate

ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate (PubChem CID 46086650) has the molecular formula C22H20FNO3S and a molecular weight of 397.47 g/mol. Its IUPAC name is ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
PubChem CID46086650
Molecular FormulaC22H20FNO3S
Molecular Weight397.47 g/mol
Exact Mass397.11
IUPAC Nameethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)c2ccccc2)sc1NC(=O)c1ccccc1F
InChIInChI=1S/C22H20FNO3S/c1-3-27-22(26)17-13-19(14(2)15-9-5-4-6-10-15)28-21(17)24-20(25)16-11-7-8-12-18(16)23/h4-14H,3H2,1-2H3,(H,24,25)
InChIKeyCWSDUSLPIGUFSH-UHFFFAOYSA-N
XLogP5.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-ethoxybenzoyl)amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92771089
ethyl 2-[(2-methoxybenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46094953
ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 759964
ethyl 2-(butanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92759883
ethyl 2-(2,2-dimethylpropanoylamino)-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92760384
ethyl 2-(butanoylamino)-5-(1-phenylethyl)thiophene-3-carboxylate
CID 46086648
ethyl 2-(2-ethylbutanoylamino)-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92760721
ethyl 2-[(5-methylthiophene-3-carbonyl)amino]-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 7027911
ethyl 2-[[(2S)-2-phenylbutanoyl]amino]-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92770061
ethyl 2-[[(2R)-2-phenylbutanoyl]amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate
CID 92770064
ethyl 2-[[(2S)-2-methylpentanoyl]amino]-5-[(1S)-1-phenylethyl]thiophene-3-carboxylate
CID 92760651
ethyl 5-[(1S)-1-phenylethyl]-2-[(2-phenylmethoxyacetyl)amino]thiophene-3-carboxylate
CID 92769085

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate (CID 46086650) is ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate is CCOC(=O)c1cc(C(C)c2ccccc2)sc1NC(=O)c1ccccc1F.
What is the InChIKey of ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate?
The InChIKey is CWSDUSLPIGUFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3S/c1-3-27-22(26)17-13-19(14(2)15-9-5-4-6-10-15)28-21(17)24-20(25)16-11-7-8-12-18(16)23/h4-14H,3H2,1-2H3,(H,24,25).
What are the key properties of ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate?
ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluorobenzoyl)amino]-5-(1-phenylethyl)thiophene-3-carboxylate is sourced from PubChem (CID 46086650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).