2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide

C16H13ClN2O4S — CID 2966405

IUPAC2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)s2)c2ccccc21
InChIInChI=1S/C16H13ClN2O4S/c17-13-6-5-12(24-13)11(20)7-16(23)9-3-1-2-4-10(9)19(15(16)22)8-14(18)21/h1-6,23H,7-8H2,(H2,18,21)
InChIKeyKWOPLGWNZGLDFH-UHFFFAOYSA-N
MW364.81 g/mol
LogP1.69
Rot. Bonds5

About 2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide

2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide (PubChem CID 2966405) has the molecular formula C16H13ClN2O4S and a molecular weight of 364.81 g/mol. Its IUPAC name is 2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
PubChem CID2966405
Molecular FormulaC16H13ClN2O4S
Molecular Weight364.81 g/mol
Exact Mass364.03
IUPAC Name2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)s2)c2ccccc21
InChIInChI=1S/C16H13ClN2O4S/c17-13-6-5-12(24-13)11(20)7-16(23)9-3-1-2-4-10(9)19(15(16)22)8-14(18)21/h1-6,23H,7-8H2,(H2,18,21)
InChIKeyKWOPLGWNZGLDFH-UHFFFAOYSA-N
XLogP1.69
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-Chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
CID 2915811
3-hydroxy-1-methyl-3-[2-oxo-2-(thiophen-2-yl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 2877111
3-hydroxy-5-iodo-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
CID 2923233
5-ethyl-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
CID 2924457
1-(4-Chlorobenzyl)-3-hydroxy-3-(2-methyl-1-oxo-1-(thiophen-2-yl)propan-2-yl)indolin-2-one
CID 24816161
3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one
CID 2957471
3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one
CID 3596901
3-Hydroxy-1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]indol-2-one
CID 5149995
5-fluoro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one
CID 2924047
1-(4-Chlorobenzyl)-3-hydroxy-3-(thiophene-2-carbonyl)indolin-2-one
CID 54584569
3-hydroxy-3-[2-oxo-2-(2-thienyl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 2842534
1-(2-chlorobenzyl)-3-hydroxy-3-[2-oxo-2-(2-thienyl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 2915388

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide?
The IUPAC name of 2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide (CID 2966405) is 2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide?
The canonical SMILES for 2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide is NC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)s2)c2ccccc21.
What is the InChIKey of 2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide?
The InChIKey is KWOPLGWNZGLDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4S/c17-13-6-5-12(24-13)11(20)7-16(23)9-3-1-2-4-10(9)19(15(16)22)8-14(18)21/h1-6,23H,7-8H2,(H2,18,21).
What are the key properties of 2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide?
2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide has a molecular weight of 364.81 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide is sourced from PubChem (CID 2966405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).