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

C24H26ClN3O4S — CID 16798256

IUPAC6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCOc1cccc(OC)c1C(=O)Nc1sc2c(c1C(N)=O)CCN(Cc1ccccc1)C2.Cl
InChIInChI=1S/C24H25N3O4S.ClH/c1-30-17-9-6-10-18(31-2)21(17)23(29)26-24-20(22(25)28)16-11-12-27(14-19(16)32-24)13-15-7-4-3-5-8-15;/h3-10H,11-14H2,1-2H3,(H2,25,28)(H,26,29);1H
InChIKeyZPHJMWROKOAGBE-UHFFFAOYSA-N
MW488.01 g/mol
LogP4.10
Rot. Bonds7

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

6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16798256) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID16798256
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC Name6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCOc1cccc(OC)c1C(=O)Nc1sc2c(c1C(N)=O)CCN(Cc1ccccc1)C2.Cl
InChIInChI=1S/C24H25N3O4S.ClH/c1-30-17-9-6-10-18(31-2)21(17)23(29)26-24-20(22(25)28)16-11-12-27(14-19(16)32-24)13-15-7-4-3-5-8-15;/h3-10H,11-14H2,1-2H3,(H2,25,28)(H,26,29);1H
InChIKeyZPHJMWROKOAGBE-UHFFFAOYSA-N
XLogP4.10
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16798256) is 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is COc1cccc(OC)c1C(=O)Nc1sc2c(c1C(N)=O)CCN(Cc1ccccc1)C2.Cl.
What is the InChIKey of 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is ZPHJMWROKOAGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S.ClH/c1-30-17-9-6-10-18(31-2)21(17)23(29)26-24-20(22(25)28)16-11-12-27(14-19(16)32-24)13-15-7-4-3-5-8-15;/h3-10H,11-14H2,1-2H3,(H2,25,28)(H,26,29);1H.
What are the key properties of 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 488.01 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 16798256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).