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

C18H19N3O4S — CID 3459535

IUPAC6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2
InChIInChI=1S/C18H19N3O4S/c1-10(22)21-8-7-12-14(9-21)26-18(15(12)16(19)23)20-17(24)11-5-3-4-6-13(11)25-2/h3-6H,7-9H2,1-2H3,(H2,19,23)(H,20,24)
InChIKeyBEWNUTREXDBTIY-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.01
Rot. Bonds4

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

6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 3459535) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID3459535
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2
InChIInChI=1S/C18H19N3O4S/c1-10(22)21-8-7-12-14(9-21)26-18(15(12)16(19)23)20-17(24)11-5-3-4-6-13(11)25-2/h3-6H,7-9H2,1-2H3,(H2,19,23)(H,20,24)
InChIKeyBEWNUTREXDBTIY-UHFFFAOYSA-N
XLogP2.01
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 3459535) is 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C(C)=O)C2.
What is the InChIKey of 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is BEWNUTREXDBTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-10(22)21-8-7-12-14(9-21)26-18(15(12)16(19)23)20-17(24)11-5-3-4-6-13(11)25-2/h3-6H,7-9H2,1-2H3,(H2,19,23)(H,20,24).
What are the key properties of 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3459535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).