N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide

C16H16N2O2S — CID 110405726

IUPACN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)Cc3cccs3)cc21
InChIInChI=1S/C16H16N2O2S/c1-16(2)12-8-10(5-6-13(12)18-15(16)20)17-14(19)9-11-4-3-7-21-11/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXWXYUTJTFWJOFY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.16
Rot. Bonds3

About N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 110405726) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide
PubChem CID110405726
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)Cc3cccs3)cc21
InChIInChI=1S/C16H16N2O2S/c1-16(2)12-8-10(5-6-13(12)18-15(16)20)17-14(19)9-11-4-3-7-21-11/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXWXYUTJTFWJOFY-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carboxamide
CID 14476448
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110612894
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
CID 110619938
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110426122
N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide
CID 566349
2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-(1H-indazol-6-yl)acetamide
CID 110770980
N-(3-ethyl-2H-indazol-5-yl)-2-thiophen-2-ylacetamide
CID 123966768
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide
CID 110405697
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
CID 24632484
(2E)-2-benzylidene-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)butanamide
CID 110618679
4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide
CID 110618671
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide (CID 110405726) is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide is CC1(C)C(=O)Nc2ccc(NC(=O)Cc3cccs3)cc21.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide?
The InChIKey is XWXYUTJTFWJOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-16(2)12-8-10(5-6-13(12)18-15(16)20)17-14(19)9-11-4-3-7-21-11/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide?
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide has a molecular weight of 300.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110405726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).