[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate

C16H14ClNO4S — CID 46796053

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO4S/c1-10-4-2-3-5-11(10)16(21)18-8-15(20)22-9-12(19)13-6-7-14(17)23-13/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyXWBZBORNACAYNI-UHFFFAOYSA-N
MW351.81 g/mol
LogP2.87
Rot. Bonds6

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate (PubChem CID 46796053) has the molecular formula C16H14ClNO4S and a molecular weight of 351.81 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
PubChem CID46796053
Molecular FormulaC16H14ClNO4S
Molecular Weight351.81 g/mol
Exact Mass351.03
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO4S/c1-10-4-2-3-5-11(10)16(21)18-8-15(20)22-9-12(19)13-6-7-14(17)23-13/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyXWBZBORNACAYNI-UHFFFAOYSA-N
XLogP2.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42964685
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18289243
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7884019
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46795940
[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18283692
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2510921
[2-(2-methylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238274
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796030
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 29179948
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066293
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7629034
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 16503859

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate (CID 46796053) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate is Cc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate?
The InChIKey is XWBZBORNACAYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4S/c1-10-4-2-3-5-11(10)16(21)18-8-15(20)22-9-12(19)13-6-7-14(17)23-13/h2-7H,8-9H2,1H3,(H,18,21).
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate has a molecular weight of 351.81 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 46796053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).