[(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate

C18H14ClNO4S — CID 1470232

IUPAC[(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(O[C@H](C(=O)NCc1ccco1)c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C18H14ClNO4S/c19-13-7-5-12(6-8-13)16(24-18(22)15-4-2-10-25-15)17(21)20-11-14-3-1-9-23-14/h1-10,16H,11H2,(H,20,21)/t16-/m0/s1
InChIKeyIMKQJKRVZIUETI-INIZCTEOSA-N
MW375.83 g/mol
LogP4.21
Rot. Bonds6

About [(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate

[(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 1470232) has the molecular formula C18H14ClNO4S and a molecular weight of 375.83 g/mol. Its IUPAC name is [(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID1470232
Molecular FormulaC18H14ClNO4S
Molecular Weight375.83 g/mol
Exact Mass375.03
IUPAC Name[(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(O[C@H](C(=O)NCc1ccco1)c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C18H14ClNO4S/c19-13-7-5-12(6-8-13)16(24-18(22)15-4-2-10-25-15)17(21)20-11-14-3-1-9-23-14/h1-10,16H,11H2,(H,20,21)/t16-/m0/s1
InChIKeyIMKQJKRVZIUETI-INIZCTEOSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220319
[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 51684466
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 654796
[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1470080
[(1S)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 51686573
[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate
CID 648857
[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 3227610
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 7759895
[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 654711
(2R,3S)-2,3-bis[(4-chlorobenzoyl)oxy]-4-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 126392831
N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18108046
[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate
CID 43817599

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate (CID 1470232) is [(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate is O=C(O[C@H](C(=O)NCc1ccco1)c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of [(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is IMKQJKRVZIUETI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H14ClNO4S/c19-13-7-5-12(6-8-13)16(24-18(22)15-4-2-10-25-15)17(21)20-11-14-3-1-9-23-14/h1-10,16H,11H2,(H,20,21)/t16-/m0/s1.
What are the key properties of [(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate?
[(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 375.83 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 1470232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).