N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide

C26H34N2O4S — CID 93168227

About N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide

N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide (PubChem CID 93168227) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide
• PubChem CID: 93168227
• Molecular Formula: C26H34N2O4S
• Molecular Weight: 470.64 g/mol
• Exact Mass: 470.22
• IUPAC Name: N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide
• SMILES: CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)C1CC1
• InChI: InChI=1S/C26H34N2O4S/c1-4-18(2)15-27(26(30)19-9-10-19)16-25(29)28-13-11-24-20(12-14-33-24)21(28)17-32-23-8-6-5-7-22(23)31-3/h5-8,12,14,18-19,21H,4,9-11,13,15-17H2,1-3H3/t18-,21-/m0/s1
• InChIKey: GKHFFOPJONLEMI-RXVVDRJESA-N
• XLogP: 4.55
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.64
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide?

The IUPAC name of N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide (CID 93168227) is N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide is CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)C1CC1.

What is the InChIKey of N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide?

The InChIKey is GKHFFOPJONLEMI-RXVVDRJESA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-4-18(2)15-27(26(30)19-9-10-19)16-25(29)28-13-11-24-20(12-14-33-24)21(28)17-32-23-8-6-5-7-22(23)31-3/h5-8,12,14,18-19,21H,4,9-11,13,15-17H2,1-3H3/t18-,21-/m0/s1.

What are the key properties of N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide?

N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide has a molecular weight of 470.64 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[(2S)-2-methylbutyl]cyclopropanecarboxamide is sourced from PubChem (CID 93168227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).