N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide

C20H24N2O4S2 — CID 7259526

About N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide

N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide (PubChem CID 7259526) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide
• PubChem CID: 7259526
• Molecular Formula: C20H24N2O4S2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.12
• IUPAC Name: N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide
• SMILES: C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(OC)cc1)S(C)(=O)=O
• InChI: InChI=1S/C20H24N2O4S2/c1-4-11-21(28(3,24)25)14-19(23)22-12-9-18-17(10-13-27-18)20(22)15-5-7-16(26-2)8-6-15/h4-8,10,13,20H,1,9,11-12,14H2,2-3H3/t20-/m1/s1
• InChIKey: VPDLBXOIWLMTFM-HXUWFJFHSA-N
• XLogP: 2.68
• TPSA: 66.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide (CID 7259526) is N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide.

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

The canonical SMILES for N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide is C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(OC)cc1)S(C)(=O)=O.

What is the InChIKey of N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide?

The InChIKey is VPDLBXOIWLMTFM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-4-11-21(28(3,24)25)14-19(23)22-12-9-18-17(10-13-27-18)20(22)15-5-7-16(26-2)8-6-15/h4-8,10,13,20H,1,9,11-12,14H2,2-3H3/t20-/m1/s1.

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

N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide has a molecular weight of 420.56 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 7259526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).