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

C23H22ClN3O3S — CID 16806285

IUPAC2-[(4-benzoylbenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCN1CCc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C23H21N3O3S.ClH/c1-26-12-11-17-18(13-26)30-23(19(17)21(24)28)25-22(29)16-9-7-15(8-10-16)20(27)14-5-3-2-4-6-14;/h2-10H,11-13H2,1H3,(H2,24,28)(H,25,29);1H
InChIKeySJCIWWLDGRWDCP-UHFFFAOYSA-N
MW455.97 g/mol
LogP3.74
Rot. Bonds5

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

2-[(4-benzoylbenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16806285) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is 2-[(4-benzoylbenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-benzoylbenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID16806285
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name2-[(4-benzoylbenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCN1CCc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C(N)=O)C1.Cl
InChIInChI=1S/C23H21N3O3S.ClH/c1-26-12-11-17-18(13-26)30-23(19(17)21(24)28)25-22(29)16-9-7-15(8-10-16)20(27)14-5-3-2-4-6-14;/h2-10H,11-13H2,1H3,(H2,24,28)(H,25,29);1H
InChIKeySJCIWWLDGRWDCP-UHFFFAOYSA-N
XLogP3.74
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 53.74
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-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[(4-benzoylbenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16806285) is 2-[(4-benzoylbenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(4-benzoylbenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[(4-benzoylbenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CN1CCc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C(N)=O)C1.Cl.
What is the InChIKey of 2-[(4-benzoylbenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is SJCIWWLDGRWDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S.ClH/c1-26-12-11-17-18(13-26)30-23(19(17)21(24)28)25-22(29)16-9-7-15(8-10-16)20(27)14-5-3-2-4-6-14;/h2-10H,11-13H2,1H3,(H2,24,28)(H,25,29);1H.
What are the key properties of 2-[(4-benzoylbenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
2-[(4-benzoylbenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 455.97 g/mol, XLogP of 3.74, 5 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-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 16806285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).