N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide

C18H17N3O3S — CID 4183341

IUPACN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)c1
InChIInChI=1S/C18H17N3O3S/c1-11(22)21-7-6-14-15(9-19)18(25-16(14)10-21)20-17(23)12-4-3-5-13(8-12)24-2/h3-5,8H,6-7,10H2,1-2H3,(H,20,23)
InChIKeyPLQSEWKOGCMNEY-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.79
Rot. Bonds3

About N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide

N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide (PubChem CID 4183341) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide
PubChem CID4183341
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)c1
InChIInChI=1S/C18H17N3O3S/c1-11(22)21-7-6-14-15(9-19)18(25-16(14)10-21)20-17(23)12-4-3-5-13(8-12)24-2/h3-5,8H,6-7,10H2,1-2H3,(H,20,23)
InChIKeyPLQSEWKOGCMNEY-UHFFFAOYSA-N
XLogP2.79
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide (CID 4183341) is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)c1.
What is the InChIKey of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide?
The InChIKey is PLQSEWKOGCMNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11(22)21-7-6-14-15(9-19)18(25-16(14)10-21)20-17(23)12-4-3-5-13(8-12)24-2/h3-5,8H,6-7,10H2,1-2H3,(H,20,23).
What are the key properties of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide?
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide has a molecular weight of 355.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 4183341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).