N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

C20H26N2OS2 — CID 9128652

About N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 9128652) has the molecular formula C20H26N2OS2 and a molecular weight of 374.58 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
• PubChem CID: 9128652
• Molecular Formula: C20H26N2OS2
• Molecular Weight: 374.58 g/mol
• Exact Mass: 374.15
• IUPAC Name: N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
• SMILES: O=C(CN1CCc2sccc2[C@H]1c1cccs1)NCC1CCCCC1
• InChI: InChI=1S/C20H26N2OS2/c23-19(21-13-15-5-2-1-3-6-15)14-22-10-8-17-16(9-12-25-17)20(22)18-7-4-11-24-18/h4,7,9,11-12,15,20H,1-3,5-6,8,10,13-14H2,(H,21,23)/t20-/m0/s1
• InChIKey: RWJGKWUJSLICRB-FQEVSTJZSA-N
• XLogP: 4.45
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.58
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

The IUPAC name of N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 9128652) is N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

What is the SMILES notation for N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

The canonical SMILES for N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is O=C(CN1CCc2sccc2[C@H]1c1cccs1)NCC1CCCCC1.

What is the InChIKey of N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

The InChIKey is RWJGKWUJSLICRB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2OS2/c23-19(21-13-15-5-2-1-3-6-15)14-22-10-8-17-16(9-12-25-17)20(22)18-7-4-11-24-18/h4,7,9,11-12,15,20H,1-3,5-6,8,10,13-14H2,(H,21,23)/t20-/m0/s1.

What are the key properties of N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 374.58 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 9128652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).