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

C16H19N3O2S — CID 110223057

IUPACN-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC1CCc2nn(CCNC(=O)c3cccs3)c(=O)cc2C1
InChIInChI=1S/C16H19N3O2S/c1-11-4-5-13-12(9-11)10-15(20)19(18-13)7-6-17-16(21)14-3-2-8-22-14/h2-3,8,10-11H,4-7,9H2,1H3,(H,17,21)
InChIKeyWQDIWQUPLWKTSN-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.86
Rot. Bonds4

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

N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 110223057) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID110223057
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC1CCc2nn(CCNC(=O)c3cccs3)c(=O)cc2C1
InChIInChI=1S/C16H19N3O2S/c1-11-4-5-13-12(9-11)10-15(20)19(18-13)7-6-17-16(21)14-3-2-8-22-14/h2-3,8,10-11H,4-7,9H2,1H3,(H,17,21)
InChIKeyWQDIWQUPLWKTSN-UHFFFAOYSA-N
XLogP1.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.86
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]thiophene-2-carboxamide?
The IUPAC name of N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide (CID 110223057) is N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide is CC1CCc2nn(CCNC(=O)c3cccs3)c(=O)cc2C1.
What is the InChIKey of N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is WQDIWQUPLWKTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-4-5-13-12(9-11)10-15(20)19(18-13)7-6-17-16(21)14-3-2-8-22-14/h2-3,8,10-11H,4-7,9H2,1H3,(H,17,21).
What are the key properties of N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide?
N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.86, 4 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]thiophene-2-carboxamide is sourced from PubChem (CID 110223057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).