N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide

C20H24N2O2S — CID 42885861

IUPACN-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCC1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-4-17-16-8-10-25-18(16)7-9-22(17)19(23)12-21-20(24)15-6-5-13(2)14(3)11-15/h5-6,8,10-11,17H,4,7,9,12H2,1-3H3,(H,21,24)
InChIKeyLZBJHLQWIHBHJW-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.63
Rot. Bonds4

About N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 42885861) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID42885861
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCC1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-4-17-16-8-10-25-18(16)7-9-22(17)19(23)12-21-20(24)15-6-5-13(2)14(3)11-15/h5-6,8,10-11,17H,4,7,9,12H2,1-3H3,(H,21,24)
InChIKeyLZBJHLQWIHBHJW-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide with MolForge

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Related Compounds

N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide
CID 42886199
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
2-(tert-butylamino)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112723931
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78924222
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxy)ethanone
CID 103606773
(5-bromo-2-methylphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 65309737
(3,5-diaminophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107490
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 51239354
4-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47760186
(4S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 95756653
(3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17465789

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide (CID 42885861) is N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide is CCC1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is LZBJHLQWIHBHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-4-17-16-8-10-25-18(16)7-9-22(17)19(23)12-21-20(24)15-6-5-13(2)14(3)11-15/h5-6,8,10-11,17H,4,7,9,12H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 356.49 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 42885861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).