6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C17H17N3O3S — CID 3646047

IUPAC6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3ccccc3)c2C(N)=O)C1
InChIInChI=1S/C17H17N3O3S/c1-10(21)20-8-7-12-13(9-20)24-17(14(12)15(18)22)19-16(23)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,18,22)(H,19,23)
InChIKeyBGBXHKHXRPAMDH-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.00
Rot. Bonds3

About 6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 3646047) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID3646047
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3ccccc3)c2C(N)=O)C1
InChIInChI=1S/C17H17N3O3S/c1-10(21)20-8-7-12-13(9-20)24-17(14(12)15(18)22)19-16(23)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,18,22)(H,19,23)
InChIKeyBGBXHKHXRPAMDH-UHFFFAOYSA-N
XLogP2.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 3646047) is 6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is BGBXHKHXRPAMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10(21)20-8-7-12-13(9-20)24-17(14(12)15(18)22)19-16(23)11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,18,22)(H,19,23).
What are the key properties of 6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-benzamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3646047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).