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

C27H28N2O2S — CID 42779476

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

N-(cyclopropylmethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (PubChem CID 42779476) has the molecular formula C27H28N2O2S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• PubChem CID: 42779476
• Molecular Formula: C27H28N2O2S
• Molecular Weight: 444.60 g/mol
• Exact Mass: 444.19
• IUPAC Name: N-(cyclopropylmethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• SMILES: Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1ccccc1
• InChI: InChI=1S/C27H28N2O2S/c1-19-7-5-6-10-22(19)26-23-14-16-32-24(23)13-15-29(26)25(30)18-28(17-20-11-12-20)27(31)21-8-3-2-4-9-21/h2-10,14,16,20,26H,11-13,15,17-18H2,1H3
• InChIKey: RYPIOSSMRSJKKW-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.60
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(cyclopropylmethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (CID 42779476) is N-(cyclopropylmethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

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

The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1ccccc1.

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

The InChIKey is RYPIOSSMRSJKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2S/c1-19-7-5-6-10-22(19)26-23-14-16-32-24(23)13-15-29(26)25(30)18-28(17-20-11-12-20)27(31)21-8-3-2-4-9-21/h2-10,14,16,20,26H,11-13,15,17-18H2,1H3.

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

N-(cyclopropylmethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide has a molecular weight of 444.60 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 42779476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).