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

C29H32N2O3S — CID 93171314

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

N-(cyclopropylmethyl)-2-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (PubChem CID 93171314) has the molecular formula C29H32N2O3S and a molecular weight of 488.65 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-2-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• PubChem CID: 93171314
• Molecular Formula: C29H32N2O3S
• Molecular Weight: 488.65 g/mol
• Exact Mass: 488.21
• IUPAC Name: N-(cyclopropylmethyl)-2-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• SMILES: Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1ccccc1C
• InChI: InChI=1S/C29H32N2O3S/c1-20-7-3-5-9-23(20)29(33)30(17-22-11-12-22)18-28(32)31-15-13-27-24(14-16-35-27)25(31)19-34-26-10-6-4-8-21(26)2/h3-10,14,16,22,25H,11-13,15,17-19H2,1-2H3/t25-/m0/s1
• InChIKey: LWXHOPKBSZUNLJ-VWLOTQADSA-N
• XLogP: 5.42
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.65
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(cyclopropylmethyl)-2-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (CID 93171314) is N-(cyclopropylmethyl)-2-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

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

The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1ccccc1C.

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

The InChIKey is LWXHOPKBSZUNLJ-VWLOTQADSA-N. The full InChI is InChI=1S/C29H32N2O3S/c1-20-7-3-5-9-23(20)29(33)30(17-22-11-12-22)18-28(32)31-15-13-27-24(14-16-35-27)25(31)19-34-26-10-6-4-8-21(26)2/h3-10,14,16,22,25H,11-13,15,17-19H2,1-2H3/t25-/m0/s1.

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

N-(cyclopropylmethyl)-2-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide has a molecular weight of 488.65 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-2-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 93171314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).