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

C20H16ClNO4S — CID 7847863

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C20H16ClNO4S/c1-25-16-5-3-2-4-15(16)22-19(23)12-26-20(24)18-11-10-17(27-18)13-6-8-14(21)9-7-13/h2-11H,12H2,1H3,(H,22,23)
InChIKeyGYRNWNIQKACZDK-UHFFFAOYSA-N
MW401.87 g/mol
LogP4.87
Rot. Bonds6

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

[2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate (PubChem CID 7847863) has the molecular formula C20H16ClNO4S and a molecular weight of 401.87 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
PubChem CID7847863
Molecular FormulaC20H16ClNO4S
Molecular Weight401.87 g/mol
Exact Mass401.05
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C20H16ClNO4S/c1-25-16-5-3-2-4-15(16)22-19(23)12-26-20(24)18-11-10-17(27-18)13-6-8-14(21)9-7-13/h2-11H,12H2,1H3,(H,22,23)
InChIKeyGYRNWNIQKACZDK-UHFFFAOYSA-N
XLogP4.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629592
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847813
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 8563050
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 7887199
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
CID 31772594
[2-(cyclopentylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847856
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146845
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615244
[2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860686
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 35987562
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate (CID 7847863) is [2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate is COc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The InChIKey is GYRNWNIQKACZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO4S/c1-25-16-5-3-2-4-15(16)22-19(23)12-26-20(24)18-11-10-17(27-18)13-6-8-14(21)9-7-13/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
[2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate has a molecular weight of 401.87 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 7847863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).