N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide

C24H32N2O3S — CID 46012320

About N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide

N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide (PubChem CID 46012320) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide.

Molecular Properties

• Compound Name: N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
• PubChem CID: 46012320
• Molecular Formula: C24H32N2O3S
• Molecular Weight: 428.60 g/mol
• Exact Mass: 428.21
• IUPAC Name: N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
• SMILES: CCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccccc1C)C(C)CC
• InChI: InChI=1S/C24H32N2O3S/c1-5-18(4)26(23(27)6-2)15-24(28)25-13-11-22-19(12-14-30-22)20(25)16-29-21-10-8-7-9-17(21)3/h7-10,12,14,18,20H,5-6,11,13,15-16H2,1-4H3
• InChIKey: ACSBEALBSVZFMZ-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.60
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide (CID 46012320) is N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide.

What is the SMILES notation for N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?

The canonical SMILES for N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide is CCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccccc1C)C(C)CC.

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

The InChIKey is ACSBEALBSVZFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-5-18(4)26(23(27)6-2)15-24(28)25-13-11-22-19(12-14-30-22)20(25)16-29-21-10-8-7-9-17(21)3/h7-10,12,14,18,20H,5-6,11,13,15-16H2,1-4H3.

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

N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide has a molecular weight of 428.60 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-N-[2-[4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide is sourced from PubChem (CID 46012320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).