2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

C24H24ClN3O3S — CID 16798257

IUPAC2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C24H23N3O3S.ClH/c1-2-27-13-12-18-19(14-27)31-24(20(18)22(25)29)26-23(30)17-10-8-16(9-11-17)21(28)15-6-4-3-5-7-15;/h3-11H,2,12-14H2,1H3,(H2,25,29)(H,26,30);1H
InChIKeyOXCSSQOJAIWKCM-UHFFFAOYSA-N
MW469.99 g/mol
LogP4.13
Rot. Bonds6

About 2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16798257) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID16798257
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC Name2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C24H23N3O3S.ClH/c1-2-27-13-12-18-19(14-27)31-24(20(18)22(25)29)26-23(30)17-10-8-16(9-11-17)21(28)15-6-4-3-5-7-15;/h3-11H,2,12-14H2,1H3,(H2,25,29)(H,26,30);1H
InChIKeyOXCSSQOJAIWKCM-UHFFFAOYSA-N
XLogP4.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16798257) is 2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CCN1CCc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C(N)=O)C1.Cl.
What is the InChIKey of 2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is OXCSSQOJAIWKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S.ClH/c1-2-27-13-12-18-19(14-27)31-24(20(18)22(25)29)26-23(30)17-10-8-16(9-11-17)21(28)15-6-4-3-5-7-15;/h3-11H,2,12-14H2,1H3,(H2,25,29)(H,26,30);1H.
What are the key properties of 2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 469.99 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzoylbenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 16798257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).