(3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one

C16H13NO2S — CID 977927

IUPAC(3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one
SMILESCCc1ccc2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2
InChIInChI=1S/C16H13NO2S/c1-2-10-5-6-13-11(8-10)12(16(19)17-13)9-14(18)15-4-3-7-20-15/h3-9H,2H2,1H3,(H,17,19)/b12-9-
InChIKeyITYGMUOLJUBSJY-XFXZXTDPSA-N
MW283.35 g/mol
LogP3.53
Rot. Bonds3

About (3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one

(3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one (PubChem CID 977927) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is (3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one
PubChem CID977927
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name(3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one
SMILESCCc1ccc2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2
InChIInChI=1S/C16H13NO2S/c1-2-10-5-6-13-11(8-10)12(16(19)17-13)9-14(18)15-4-3-7-20-15/h3-9H,2H2,1H3,(H,17,19)/b12-9-
InChIKeyITYGMUOLJUBSJY-XFXZXTDPSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
1-(2-thienylmethyl)-1H-indole-2,3-dione
CID 2996126
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
Cambridge id 5272675
CID 1377411
2-bromo-N-[(3E)-3-[(3-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-enamide
CID 137636890
2-bromo-N-[(3Z)-3-[(3-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-enamide
CID 137645191
2-bromo-N-[(3E)-3-[(5-methylthiophen-2-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-enamide
CID 137660080
4-[(Thiophen-2-ylacetyl)amino]benzamide
CID 670145
N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1215015
N-(3-fluoro-4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 4790904
4-[4-Oxo-4-(thiophen-2-yl)butanamido]benzamide
CID 9441864

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one (CID 977927) is (3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one is CCc1ccc2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2.
What is the InChIKey of (3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one?
The InChIKey is ITYGMUOLJUBSJY-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-2-10-5-6-13-11(8-10)12(16(19)17-13)9-14(18)15-4-3-7-20-15/h3-9H,2H2,1H3,(H,17,19)/b12-9-.
What are the key properties of (3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one?
(3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one has a molecular weight of 283.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-ethyl-3-(2-oxo-2-thiophen-2-ylethylidene)-1H-indol-2-one is sourced from PubChem (CID 977927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).