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

C29H34N2O2S — CID 3334089

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

N-butan-2-yl-4-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (PubChem CID 3334089) has the molecular formula C29H34N2O2S and a molecular weight of 474.67 g/mol. Its IUPAC name is N-butan-2-yl-4-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-butan-2-yl-4-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• PubChem CID: 3334089
• Molecular Formula: C29H34N2O2S
• Molecular Weight: 474.67 g/mol
• Exact Mass: 474.23
• IUPAC Name: N-butan-2-yl-4-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• SMILES: CCc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2c2ccccc2C)C(C)CC)cc1
• InChI: InChI=1S/C29H34N2O2S/c1-5-21(4)31(29(33)23-13-11-22(6-2)12-14-23)19-27(32)30-17-15-26-25(16-18-34-26)28(30)24-10-8-7-9-20(24)3/h7-14,16,18,21,28H,5-6,15,17,19H2,1-4H3
• InChIKey: QKRFNWFKOJEOIO-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.67
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-butan-2-yl-4-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (CID 3334089) is N-butan-2-yl-4-ethyl-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-butan-2-yl-4-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?

The canonical SMILES for N-butan-2-yl-4-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is CCc1ccc(C(=O)N(CC(=O)N2CCc3sccc3C2c2ccccc2C)C(C)CC)cc1.

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

The InChIKey is QKRFNWFKOJEOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2S/c1-5-21(4)31(29(33)23-13-11-22(6-2)12-14-23)19-27(32)30-17-15-26-25(16-18-34-26)28(30)24-10-8-7-9-20(24)3/h7-14,16,18,21,28H,5-6,15,17,19H2,1-4H3.

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

N-butan-2-yl-4-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide has a molecular weight of 474.67 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-4-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 3334089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).