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

C18H20Cl3N3O2S — CID 16806277

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

2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16806277) has the molecular formula C18H20Cl3N3O2S and a molecular weight of 448.80 g/mol. Its IUPAC name is 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
• PubChem CID: 16806277
• Molecular Formula: C18H20Cl3N3O2S
• Molecular Weight: 448.80 g/mol
• Exact Mass: 447.03
• IUPAC Name: 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
• SMILES: CC(C)N1CCc2c(sc(NC(=O)c3cc(Cl)cc(Cl)c3)c2C(N)=O)C1.Cl
• InChI: InChI=1S/C18H19Cl2N3O2S.ClH/c1-9(2)23-4-3-13-14(8-23)26-18(15(13)16(21)24)22-17(25)10-5-11(19)7-12(20)6-10;/h5-7,9H,3-4,8H2,1-2H3,(H2,21,24)(H,22,25);1H
• InChIKey: ZVIZTYVKWTWGHH-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 75.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.80
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?

The IUPAC name of 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16806277) is 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

What is the SMILES notation for 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?

The canonical SMILES for 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CC(C)N1CCc2c(sc(NC(=O)c3cc(Cl)cc(Cl)c3)c2C(N)=O)C1.Cl.

What is the InChIKey of 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?

The InChIKey is ZVIZTYVKWTWGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2S.ClH/c1-9(2)23-4-3-13-14(8-23)26-18(15(13)16(21)24)22-17(25)10-5-11(19)7-12(20)6-10;/h5-7,9H,3-4,8H2,1-2H3,(H2,21,24)(H,22,25);1H.

What are the key properties of 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?

2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 448.80 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 16806277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).