[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate

C17H16ClNO5S — CID 7146518

IUPAC[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate
SMILESCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C17H16ClNO5S/c1-2-9-23-16(21)11-3-5-12(6-4-11)19-15(20)10-24-17(22)13-7-8-14(18)25-13/h3-8H,2,9-10H2,1H3,(H,19,20)
InChIKeyJLCVSKILRWSLIA-UHFFFAOYSA-N
MW381.84 g/mol
LogP3.76
Rot. Bonds7

About [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate

[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate (PubChem CID 7146518) has the molecular formula C17H16ClNO5S and a molecular weight of 381.84 g/mol. Its IUPAC name is [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate
PubChem CID7146518
Molecular FormulaC17H16ClNO5S
Molecular Weight381.84 g/mol
Exact Mass381.04
IUPAC Name[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate
SMILESCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C17H16ClNO5S/c1-2-9-23-16(21)11-3-5-12(6-4-11)19-15(20)10-24-17(22)13-7-8-14(18)25-13/h3-8H,2,9-10H2,1H3,(H,19,20)
InChIKeyJLCVSKILRWSLIA-UHFFFAOYSA-N
XLogP3.76
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146937
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 41091065
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146864
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 1,3-benzodioxole-5-carboxylate
CID 7705888
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7841697
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511019
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
methyl 4-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]benzoate
CID 26583308
propyl 4-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732137
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate (CID 7146518) is [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate is CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate?
The InChIKey is JLCVSKILRWSLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5S/c1-2-9-23-16(21)11-3-5-12(6-4-11)19-15(20)10-24-17(22)13-7-8-14(18)25-13/h3-8H,2,9-10H2,1H3,(H,19,20).
What are the key properties of [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate?
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate has a molecular weight of 381.84 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 7146518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).