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

C19H21N3O3S — CID 5066142

IUPAC6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(N)=O)C1
InChIInChI=1S/C19H21N3O3S/c1-10-4-5-13(8-11(10)2)18(25)21-19-16(17(20)24)14-6-7-22(12(3)23)9-15(14)26-19/h4-5,8H,6-7,9H2,1-3H3,(H2,20,24)(H,21,25)
InChIKeyBCKWGLOHFQGHFY-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.62
Rot. Bonds3

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

6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 5066142) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID5066142
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(N)=O)C1
InChIInChI=1S/C19H21N3O3S/c1-10-4-5-13(8-11(10)2)18(25)21-19-16(17(20)24)14-6-7-22(12(3)23)9-15(14)26-19/h4-5,8H,6-7,9H2,1-3H3,(H2,20,24)(H,21,25)
InChIKeyBCKWGLOHFQGHFY-UHFFFAOYSA-N
XLogP2.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 5066142) is 6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is BCKWGLOHFQGHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-10-4-5-13(8-11(10)2)18(25)21-19-16(17(20)24)14-6-7-22(12(3)23)9-15(14)26-19/h4-5,8H,6-7,9H2,1-3H3,(H2,20,24)(H,21,25).
What are the key properties of 6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5066142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).