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

C29H32N2O4S — CID 93169471

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

N-(cyclopropylmethyl)-3-methoxy-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (PubChem CID 93169471) has the molecular formula C29H32N2O4S and a molecular weight of 504.65 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-methoxy-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-3-methoxy-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• PubChem CID: 93169471
• Molecular Formula: C29H32N2O4S
• Molecular Weight: 504.65 g/mol
• Exact Mass: 504.21
• IUPAC Name: N-(cyclopropylmethyl)-3-methoxy-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• SMILES: COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C)cc2)CC2CC2)c1
• InChI: InChI=1S/C29H32N2O4S/c1-20-6-10-23(11-7-20)35-19-26-25-13-15-36-27(25)12-14-31(26)28(32)18-30(17-21-8-9-21)29(33)22-4-3-5-24(16-22)34-2/h3-7,10-11,13,15-16,21,26H,8-9,12,14,17-19H2,1-2H3/t26-/m0/s1
• InChIKey: HZZUZBVILGFVDP-SANMLTNESA-N
• XLogP: 5.12
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.65
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(cyclopropylmethyl)-3-methoxy-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (CID 93169471) is N-(cyclopropylmethyl)-3-methoxy-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

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

The canonical SMILES for N-(cyclopropylmethyl)-3-methoxy-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is COc1cccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C)cc2)CC2CC2)c1.

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

The InChIKey is HZZUZBVILGFVDP-SANMLTNESA-N. The full InChI is InChI=1S/C29H32N2O4S/c1-20-6-10-23(11-7-20)35-19-26-25-13-15-36-27(25)12-14-31(26)28(32)18-30(17-21-8-9-21)29(33)22-4-3-5-24(16-22)34-2/h3-7,10-11,13,15-16,21,26H,8-9,12,14,17-19H2,1-2H3/t26-/m0/s1.

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

N-(cyclopropylmethyl)-3-methoxy-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide has a molecular weight of 504.65 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-3-methoxy-N-[2-[(4R)-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 93169471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).