1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea

C19H23N5O3S2 — CID 146083340

About 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea

1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea (PubChem CID 146083340) has the molecular formula C19H23N5O3S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea
• PubChem CID: 146083340
• Molecular Formula: C19H23N5O3S2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.12
• IUPAC Name: 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea
• SMILES: CC(C)c1nccn1Cc1cccc(NC(=O)NCc2ccc(S(N)(=O)=O)s2)c1
• InChI: InChI=1S/C19H23N5O3S2/c1-13(2)18-21-8-9-24(18)12-14-4-3-5-15(10-14)23-19(25)22-11-16-6-7-17(28-16)29(20,26)27/h3-10,13H,11-12H2,1-2H3,(H2,20,26,27)(H2,22,23,25)
• InChIKey: ISNRZFCJCQMGTL-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 119.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea?

The IUPAC name of 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea (CID 146083340) is 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea.

What is the SMILES notation for 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea?

The canonical SMILES for 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea is CC(C)c1nccn1Cc1cccc(NC(=O)NCc2ccc(S(N)(=O)=O)s2)c1.

What is the InChIKey of 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea?

The InChIKey is ISNRZFCJCQMGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S2/c1-13(2)18-21-8-9-24(18)12-14-4-3-5-15(10-14)23-19(25)22-11-16-6-7-17(28-16)29(20,26)27/h3-10,13H,11-12H2,1-2H3,(H2,20,26,27)(H2,22,23,25).

What are the key properties of 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea?

1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea has a molecular weight of 433.56 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[(5-sulfamoylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 146083340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).