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

C18H20N2O2S — CID 42886199

IUPACN-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide
SMILESCCC1c2ccsc2CCN1C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-2-15-14-9-11-23-16(14)8-10-20(15)17(21)12-19-18(22)13-6-4-3-5-7-13/h3-7,9,11,15H,2,8,10,12H2,1H3,(H,19,22)
InChIKeyUMKBOVICHUMHLQ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.01
Rot. Bonds4

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

N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide (PubChem CID 42886199) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide
PubChem CID42886199
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide
SMILESCCC1c2ccsc2CCN1C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-2-15-14-9-11-23-16(14)8-10-20(15)17(21)12-19-18(22)13-6-4-3-5-7-13/h3-7,9,11,15H,2,8,10,12H2,1H3,(H,19,22)
InChIKeyUMKBOVICHUMHLQ-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 42885861
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
2-[[(2R)-butan-2-yl]-[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]amino]acetic acid
CID 124684678
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluorophenyl)methanone
CID 18093063
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone
CID 51239349
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 51239407
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenoxypropan-1-one
CID 86909696
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-thiophen-2-ylethanone
CID 115286639

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]benzamide?
The IUPAC name of N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide (CID 42886199) is N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide is CCC1c2ccsc2CCN1C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide?
The InChIKey is UMKBOVICHUMHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-2-15-14-9-11-23-16(14)8-10-20(15)17(21)12-19-18(22)13-6-4-3-5-7-13/h3-7,9,11,15H,2,8,10,12H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide?
N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide has a molecular weight of 328.44 g/mol, XLogP of 3.01, 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]benzamide is sourced from PubChem (CID 42886199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).