4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide

C22H23N3O3S — CID 56544988

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide
SMILESCCc1ccc(-c2cc(NC(=O)CCC(=O)N3CCc4sccc4C3)on2)cc1
InChIInChI=1S/C22H23N3O3S/c1-2-15-3-5-16(6-4-15)18-13-21(28-24-18)23-20(26)7-8-22(27)25-11-9-19-17(14-25)10-12-29-19/h3-6,10,12-13H,2,7-9,11,14H2,1H3,(H,23,26)
InChIKeyXPVQFRBNGXPACJ-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.27
Rot. Bonds6

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide (PubChem CID 56544988) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide
PubChem CID56544988
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide
SMILESCCc1ccc(-c2cc(NC(=O)CCC(=O)N3CCc4sccc4C3)on2)cc1
InChIInChI=1S/C22H23N3O3S/c1-2-15-3-5-16(6-4-15)18-13-21(28-24-18)23-20(26)7-8-22(27)25-11-9-19-17(14-25)10-12-29-19/h3-6,10,12-13H,2,7-9,11,14H2,1H3,(H,23,26)
InChIKeyXPVQFRBNGXPACJ-UHFFFAOYSA-N
XLogP4.27
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
CID 136516596
N-(4-bromo-2-methylphenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55876098
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 55883129
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55872616
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxobutanamide
CID 52694457
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55874879
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-ethylanilino)ethanone
CID 43388508
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 119384096
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-oxobutanamide
CID 55872768
ethyl 2-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 112844681
2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide
CID 55874753
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methyl-3-piperidin-1-ylpropyl)-4-oxobutanamide
CID 55980799

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide (CID 56544988) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide is CCc1ccc(-c2cc(NC(=O)CCC(=O)N3CCc4sccc4C3)on2)cc1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide?
The InChIKey is XPVQFRBNGXPACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-2-15-3-5-16(6-4-15)18-13-21(28-24-18)23-20(26)7-8-22(27)25-11-9-19-17(14-25)10-12-29-19/h3-6,10,12-13H,2,7-9,11,14H2,1H3,(H,23,26).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide has a molecular weight of 409.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-oxobutanamide is sourced from PubChem (CID 56544988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).