2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide

C18H17Cl2N3OS — CID 4183537

About 2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide

2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide (PubChem CID 4183537) has the molecular formula C18H17Cl2N3OS and a molecular weight of 394.33 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
• PubChem CID: 4183537
• Molecular Formula: C18H17Cl2N3OS
• Molecular Weight: 394.33 g/mol
• Exact Mass: 393.05
• IUPAC Name: 2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
• SMILES: CC(C)N1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1
• InChI: InChI=1S/C18H17Cl2N3OS/c1-10(2)23-6-5-12-14(8-21)18(25-16(12)9-23)22-17(24)13-7-11(19)3-4-15(13)20/h3-4,7,10H,5-6,9H2,1-2H3,(H,22,24)
• InChIKey: ZVHFIEUZABXAPH-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 56.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.33
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?

The IUPAC name of 2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide (CID 4183537) is 2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide.

What is the SMILES notation for 2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?

The canonical SMILES for 2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide is CC(C)N1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C#N)C1.

What is the InChIKey of 2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?

The InChIKey is ZVHFIEUZABXAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3OS/c1-10(2)23-6-5-12-14(8-21)18(25-16(12)9-23)22-17(24)13-7-11(19)3-4-15(13)20/h3-4,7,10H,5-6,9H2,1-2H3,(H,22,24).

What are the key properties of 2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide?

2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide has a molecular weight of 394.33 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 4183537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).