2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide

C17H18N2O4S — CID 30455552

IUPAC2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCc3sccc3C2)ccc1OCC(N)=O
InChIInChI=1S/C17H18N2O4S/c1-22-14-8-11(2-3-13(14)23-10-16(18)20)17(21)19-6-4-15-12(9-19)5-7-24-15/h2-3,5,7-8H,4,6,9-10H2,1H3,(H2,18,20)
InChIKeyTXIFZCYHAYBNAR-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.82
Rot. Bonds5

About 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide

2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide (PubChem CID 30455552) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide
PubChem CID30455552
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCc3sccc3C2)ccc1OCC(N)=O
InChIInChI=1S/C17H18N2O4S/c1-22-14-8-11(2-3-13(14)23-10-16(18)20)17(21)19-6-4-15-12(9-19)5-7-24-15/h2-3,5,7-8H,4,6,9-10H2,1H3,(H2,18,20)
InChIKeyTXIFZCYHAYBNAR-UHFFFAOYSA-N
XLogP1.82
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17476869
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 25371424
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 121154289
(2-amino-4,5-dimethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16777631
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 55502904
2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 32771644
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-ethoxy-4-methoxyphenyl)methanone
CID 38409242
methyl (2S)-4-[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]thiomorpholine-2-carboxylate
CID 9084216
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethanone
CID 55503043
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]prop-2-enamide
CID 55925197

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide (CID 30455552) is 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide is COc1cc(C(=O)N2CCc3sccc3C2)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide?
The InChIKey is TXIFZCYHAYBNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-22-14-8-11(2-3-13(14)23-10-16(18)20)17(21)19-6-4-15-12(9-19)5-7-24-15/h2-3,5,7-8H,4,6,9-10H2,1H3,(H2,18,20).
What are the key properties of 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide?
2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide has a molecular weight of 346.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 30455552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).