N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide

C17H21N3O2S — CID 110223059

IUPACN-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC1CCc2nn(CCNC(=O)Cc3cccs3)c(=O)cc2C1
InChIInChI=1S/C17H21N3O2S/c1-12-4-5-15-13(9-12)10-17(22)20(19-15)7-6-18-16(21)11-14-3-2-8-23-14/h2-3,8,10,12H,4-7,9,11H2,1H3,(H,18,21)
InChIKeyNFCOORAVISGWNS-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.79
Rot. Bonds5

About N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 110223059) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID110223059
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC1CCc2nn(CCNC(=O)Cc3cccs3)c(=O)cc2C1
InChIInChI=1S/C17H21N3O2S/c1-12-4-5-15-13(9-12)10-17(22)20(19-15)7-6-18-16(21)11-14-3-2-8-23-14/h2-3,8,10,12H,4-7,9,11H2,1H3,(H,18,21)
InChIKeyNFCOORAVISGWNS-UHFFFAOYSA-N
XLogP1.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide (CID 110223059) is N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide is CC1CCc2nn(CCNC(=O)Cc3cccs3)c(=O)cc2C1.
What is the InChIKey of N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is NFCOORAVISGWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-4-5-15-13(9-12)10-17(22)20(19-15)7-6-18-16(21)11-14-3-2-8-23-14/h2-3,8,10,12H,4-7,9,11H2,1H3,(H,18,21).
What are the key properties of N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 331.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110223059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).