methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C19H20N2O5S — CID 3415724

IUPACmethyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCN(C(C)=O)C2
InChIInChI=1S/C19H20N2O5S/c1-11(22)21-9-8-13-15(10-21)27-18(16(13)19(24)26-3)20-17(23)12-6-4-5-7-14(12)25-2/h4-7H,8-10H2,1-3H3,(H,20,23)
InChIKeyPOXKNLOKFWXWOD-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.70
Rot. Bonds4

About methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 3415724) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID3415724
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Namemethyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCN(C(C)=O)C2
InChIInChI=1S/C19H20N2O5S/c1-11(22)21-9-8-13-15(10-21)27-18(16(13)19(24)26-3)20-17(23)12-6-4-5-7-14(12)25-2/h4-7H,8-10H2,1-3H3,(H,20,23)
InChIKeyPOXKNLOKFWXWOD-UHFFFAOYSA-N
XLogP2.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

2-[(2,6-Dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1219754
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2306193
2-(diethylamino)-N-(4-oxo-4H-thieno[3,4-c]chromen-3-yl)acetamide
CID 2817011
ethyl 5-[(diethylamino)carbonyl]-4-methyl-2-[(9H-xanthen-9-ylcarbonyl)amino]-3-thiophenecarboxylate
CID 1010754
diethyl 2-[(phenylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
CID 1047282
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide
CID 4183341
6-(3-Methoxy-benzyl)-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
CID 9821764
Ethyl 7-(2-methoxybenzyl)-3-((dimethylamino)methyl)-2-(4-methoxyphenyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
CID 11570616
2-(2-hydroxybenzamido)-5,5,7,7-tetramethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 117858047
Methyl 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-3-methyl-2-thiophenecarboxylate
CID 1088392
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2-methoxybenzamide
CID 1130986
4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methyl-2-thiophenecarboxamide
CID 1221824

Frequently Asked Questions

What is the IUPAC name of methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 3415724) is methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCN(C(C)=O)C2.
What is the InChIKey of methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is POXKNLOKFWXWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-11(22)21-9-8-13-15(10-21)27-18(16(13)19(24)26-3)20-17(23)12-6-4-5-7-14(12)25-2/h4-7H,8-10H2,1-3H3,(H,20,23).
What are the key properties of methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 388.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 3415724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).