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

C17H18N2O3S — CID 111537774

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NCC(=O)N1CCc2sccc2C1)C(O)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-15(19-8-6-14-13(11-19)7-9-23-14)10-18-17(22)16(21)12-4-2-1-3-5-12/h1-5,7,9,16,21H,6,8,10-11H2,(H,18,22)
InChIKeyNHLWRSZOZDRYCU-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.48
Rot. Bonds4

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

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide (PubChem CID 111537774) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide
PubChem CID111537774
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NCC(=O)N1CCc2sccc2C1)C(O)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-15(19-8-6-14-13(11-19)7-9-23-14)10-18-17(22)16(21)12-4-2-1-3-5-12/h1-5,7,9,16,21H,6,8,10-11H2,(H,18,22)
InChIKeyNHLWRSZOZDRYCU-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-2-phenylethanone
CID 111432209
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethanone
CID 51965745
(2S)-2-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 119372661
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-3-phenylpentan-1-one
CID 146123854
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171709
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]urea
CID 86882059
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990761
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoic acid
CID 43466234
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111373672
4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanoic acid
CID 43473809
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111403796

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide (CID 111537774) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide is O=C(NCC(=O)N1CCc2sccc2C1)C(O)c1ccccc1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is NHLWRSZOZDRYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-15(19-8-6-14-13(11-19)7-9-23-14)10-18-17(22)16(21)12-4-2-1-3-5-12/h1-5,7,9,16,21H,6,8,10-11H2,(H,18,22).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 330.41 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 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]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 111537774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).