5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C17H24N2O2S — CID 53158808

IUPAC5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCC(=O)N1CCc2sc(C(=O)NC3CCCCCC3)cc2C1
InChIInChI=1S/C17H24N2O2S/c1-12(20)19-9-8-15-13(11-19)10-16(22-15)17(21)18-14-6-4-2-3-5-7-14/h10,14H,2-9,11H2,1H3,(H,18,21)
InChIKeyDEUZKTRSCFRDFI-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.11
Rot. Bonds2

About 5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 53158808) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID53158808
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCC(=O)N1CCc2sc(C(=O)NC3CCCCCC3)cc2C1
InChIInChI=1S/C17H24N2O2S/c1-12(20)19-9-8-15-13(11-19)10-16(22-15)17(21)18-14-6-4-2-3-5-7-14/h10,14H,2-9,11H2,1H3,(H,18,21)
InChIKeyDEUZKTRSCFRDFI-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97208038
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 55690908
N-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide;hydrobromide
CID 138111140
5-acetyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158788
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 56568813
N-(1-ethylsulfonylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 31835472
N-(4-oxocyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43652917
5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158844
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112817142
N-(3,3-dimethylcyclopentyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 114550474

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 53158808) is 5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CC(=O)N1CCc2sc(C(=O)NC3CCCCCC3)cc2C1.
What is the InChIKey of 5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is DEUZKTRSCFRDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-12(20)19-9-8-15-13(11-19)10-16(22-15)17(21)18-14-6-4-2-3-5-7-14/h10,14H,2-9,11H2,1H3,(H,18,21).
What are the key properties of 5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53158808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).