2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide

C26H25ClN2O2S — CID 3575084

About 2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide

2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (PubChem CID 3575084) has the molecular formula C26H25ClN2O2S and a molecular weight of 465.02 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• PubChem CID: 3575084
• Molecular Formula: C26H25ClN2O2S
• Molecular Weight: 465.02 g/mol
• Exact Mass: 464.13
• IUPAC Name: 2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• SMILES: Cc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)c2ccccc2Cl)C2CC2)cc1
• InChI: InChI=1S/C26H25ClN2O2S/c1-17-6-8-18(9-7-17)25-21-13-15-32-23(21)12-14-28(25)24(30)16-29(19-10-11-19)26(31)20-4-2-3-5-22(20)27/h2-9,13,15,19,25H,10-12,14,16H2,1H3
• InChIKey: SZIFFJRTYMKASX-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.02
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?

The IUPAC name of 2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (CID 3575084) is 2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

What is the SMILES notation for 2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?

The canonical SMILES for 2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is Cc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)c2ccccc2Cl)C2CC2)cc1.

What is the InChIKey of 2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?

The InChIKey is SZIFFJRTYMKASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O2S/c1-17-6-8-18(9-7-17)25-21-13-15-32-23(21)12-14-28(25)24(30)16-29(19-10-11-19)26(31)20-4-2-3-5-22(20)27/h2-9,13,15,19,25H,10-12,14,16H2,1H3.

What are the key properties of 2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?

2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide has a molecular weight of 465.02 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 3575084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).