[2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

C17H17ClN2O4S — CID 7847813

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H17ClN2O4S/c1-2-9-19-17(23)20-15(21)10-24-16(22)14-8-7-13(25-14)11-3-5-12(18)6-4-11/h3-8H,2,9-10H2,1H3,(H2,19,20,21,23)
InChIKeyQPBBEQWEVXJOMV-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.46
Rot. Bonds6

About [2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

[2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate (PubChem CID 7847813) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
PubChem CID7847813
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H17ClN2O4S/c1-2-9-19-17(23)20-15(21)10-24-16(22)14-8-7-13(25-14)11-3-5-12(18)6-4-11/h3-8H,2,9-10H2,1H3,(H2,19,20,21,23)
InChIKeyQPBBEQWEVXJOMV-UHFFFAOYSA-N
XLogP3.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 8563050
[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] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847849
[2-oxo-2-(propylcarbamoylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2589684
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 8537822
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648583
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(4-acetyloxyphenyl)benzoate
CID 7807585
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824857
[2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate
CID 2544060
[2-oxo-2-(propylamino)ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2435002

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate (CID 7847813) is [2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate is CCCNC(=O)NC(=O)COC(=O)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
The InChIKey is QPBBEQWEVXJOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-2-9-19-17(23)20-15(21)10-24-16(22)14-8-7-13(25-14)11-3-5-12(18)6-4-11/h3-8H,2,9-10H2,1H3,(H2,19,20,21,23).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate has a molecular weight of 380.85 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 7847813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).