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

C29H34N2O5S2 — CID 98423591

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

4-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 98423591) has the molecular formula C29H34N2O5S2 and a molecular weight of 554.73 g/mol. Its IUPAC name is 4-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
• PubChem CID: 98423591
• Molecular Formula: C29H34N2O5S2
• Molecular Weight: 554.73 g/mol
• Exact Mass: 554.19
• IUPAC Name: 4-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2C)C[C@@H]2CCCO2)cc1
• InChI: InChI=1S/C29H34N2O5S2/c1-21-9-11-24(12-10-21)38(33,34)30(18-23-7-5-16-35-23)19-29(32)31-15-13-28-25(14-17-37-28)26(31)20-36-27-8-4-3-6-22(27)2/h3-4,6,8-12,14,17,23,26H,5,7,13,15-16,18-20H2,1-2H3/t23-,26-/m0/s1
• InChIKey: PTWWZHWBVJJVGM-OZXSUGGESA-N
• XLogP: 4.74
• TPSA: 76.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.73
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (CID 98423591) is 4-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.

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

The canonical SMILES for 4-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccccc2C)C[C@@H]2CCCO2)cc1.

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

The InChIKey is PTWWZHWBVJJVGM-OZXSUGGESA-N. The full InChI is InChI=1S/C29H34N2O5S2/c1-21-9-11-24(12-10-21)38(33,34)30(18-23-7-5-16-35-23)19-29(32)31-15-13-28-25(14-17-37-28)26(31)20-36-27-8-4-3-6-22(27)2/h3-4,6,8-12,14,17,23,26H,5,7,13,15-16,18-20H2,1-2H3/t23-,26-/m0/s1.

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

4-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 554.73 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-[(4R)-4-[(2-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 98423591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).