1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea

C19H26N4O3S2 — CID 78860474

About 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea (PubChem CID 78860474) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea
• PubChem CID: 78860474
• Molecular Formula: C19H26N4O3S2
• Molecular Weight: 422.58 g/mol
• Exact Mass: 422.14
• IUPAC Name: 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea
• SMILES: CC(NC(=O)NCC(C)N1CCc2sccc2C1)c1cccc(S(N)(=O)=O)c1
• InChI: InChI=1S/C19H26N4O3S2/c1-13(23-8-6-18-16(12-23)7-9-27-18)11-21-19(24)22-14(2)15-4-3-5-17(10-15)28(20,25)26/h3-5,7,9-10,13-14H,6,8,11-12H2,1-2H3,(H2,20,25,26)(H2,21,22,24)
• InChIKey: INSSKWVAJFHNRO-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 104.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.58
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea?

The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea (CID 78860474) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea.

What is the SMILES notation for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea?

The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea is CC(NC(=O)NCC(C)N1CCc2sccc2C1)c1cccc(S(N)(=O)=O)c1.

What is the InChIKey of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea?

The InChIKey is INSSKWVAJFHNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-13(23-8-6-18-16(12-23)7-9-27-18)11-21-19(24)22-14(2)15-4-3-5-17(10-15)28(20,25)26/h3-5,7,9-10,13-14H,6,8,11-12H2,1-2H3,(H2,20,25,26)(H2,21,22,24).

What are the key properties of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea?

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea has a molecular weight of 422.58 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 78860474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).