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

C15H16N2O2S2 — CID 18140355

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCc3sccc3C2)s1
InChIInChI=1S/C15H16N2O2S2/c1-10-2-3-13(21-10)15(19)16-8-14(18)17-6-4-12-11(9-17)5-7-20-12/h2-3,5,7H,4,6,8-9H2,1H3,(H,16,19)
InChIKeyGQEJIDMCUJPBAN-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.43
Rot. Bonds3

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

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 18140355) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID18140355
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCc3sccc3C2)s1
InChIInChI=1S/C15H16N2O2S2/c1-10-2-3-13(21-10)15(19)16-8-14(18)17-6-4-12-11(9-17)5-7-20-12/h2-3,5,7H,4,6,8-9H2,1H3,(H,16,19)
InChIKeyGQEJIDMCUJPBAN-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione
CID 46438388
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 61175116
N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide
CID 71882017
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxyamino)ethanone
CID 82722147
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethanone
CID 106372552
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methoxypropylamino)ethanone
CID 43388492
ethyl 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoate
CID 61498759
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide
CID 111537774
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(pentan-2-ylamino)ethanone
CID 43388505
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,5-dimethylanilino)ethanone
CID 37201756
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203892

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 18140355) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N2CCc3sccc3C2)s1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is GQEJIDMCUJPBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-10-2-3-13(21-10)15(19)16-8-14(18)17-6-4-12-11(9-17)5-7-20-12/h2-3,5,7H,4,6,8-9H2,1H3,(H,16,19).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 18140355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).