[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

C18H14ClNO4S — CID 7847849

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(Cl)cc2)s1)NCc1ccco1
InChIInChI=1S/C18H14ClNO4S/c19-13-5-3-12(4-6-13)15-7-8-16(25-15)18(22)24-11-17(21)20-10-14-2-1-9-23-14/h1-9H,10-11H2,(H,20,21)
InChIKeyIASCUQKSXHIMCP-UHFFFAOYSA-N
MW375.83 g/mol
LogP4.13
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate (PubChem CID 7847849) has the molecular formula C18H14ClNO4S and a molecular weight of 375.83 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
PubChem CID7847849
Molecular FormulaC18H14ClNO4S
Molecular Weight375.83 g/mol
Exact Mass375.03
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(Cl)cc2)s1)NCc1ccco1
InChIInChI=1S/C18H14ClNO4S/c19-13-5-3-12(4-6-13)15-7-8-16(25-15)18(22)24-11-17(21)20-10-14-2-1-9-23-14/h1-9H,10-11H2,(H,20,21)
InChIKeyIASCUQKSXHIMCP-UHFFFAOYSA-N
XLogP4.13
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192437
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 31864106
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2365239
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629968
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847813
5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 38404678
[2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847856
[2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847863
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2570075
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 7773688

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate (CID 7847849) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate is O=C(COC(=O)c1ccc(-c2ccc(Cl)cc2)s1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The InChIKey is IASCUQKSXHIMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4S/c19-13-5-3-12(4-6-13)15-7-8-16(25-15)18(22)24-11-17(21)20-10-14-2-1-9-23-14/h1-9H,10-11H2,(H,20,21).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate has a molecular weight of 375.83 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 7847849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).