ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate

C15H14FNO3S2 — CID 7254832

IUPACethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S2/c1-2-20-15(19)12-7-8-21-14(12)17-13(18)9-22-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyDZQZVDDVCJPIML-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.79
Rot. Bonds6

About ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate

ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate (PubChem CID 7254832) has the molecular formula C15H14FNO3S2 and a molecular weight of 339.41 g/mol. Its IUPAC name is ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate
PubChem CID7254832
Molecular FormulaC15H14FNO3S2
Molecular Weight339.41 g/mol
Exact Mass339.04
IUPAC Nameethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S2/c1-2-20-15(19)12-7-8-21-14(12)17-13(18)9-22-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyDZQZVDDVCJPIML-UHFFFAOYSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
Methyl 2-(3-phenylpropanamido)thiophene-3-carboxylate
CID 3332875
Ethyl 5'-(acetylamino)-2,3'-bithiophene-4'-carboxylate
CID 759955
Methyl 2-benzamidothiophene-3-carboxylate
CID 2808576
Methyl 2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
CID 7254734
Methyl 2-[3-(4-bromophenyl)sulfanylpropanoylamino]thiophene-3-carboxylate
CID 25113827
Methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 25117223
4,5-Dimethyl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 650856
Ethyl 2-(cyclopropylcarbonylamino)-5-ethylthiophene-3-carboxylate
CID 658822
Ethyl 2-[(2,2-dimethylpropanoyl)amino]-5-phenylthiophene-3-carboxylate
CID 729367
Ethyl 5-ethyl-2-[(phenylacetyl)amino]-3-thiophenecarboxylate
CID 734088
Ethyl 2-(3-methylbutanoylamino)-5-phenylthiophene-3-carboxylate
CID 805003

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate (CID 7254832) is ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)CSc1ccc(F)cc1.
What is the InChIKey of ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate?
The InChIKey is DZQZVDDVCJPIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S2/c1-2-20-15(19)12-7-8-21-14(12)17-13(18)9-22-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate has a molecular weight of 339.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 7254832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).