3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide

C20H22N4O3S2 — CID 86933739

About 3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide

3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 86933739) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide
• PubChem CID: 86933739
• Molecular Formula: C20H22N4O3S2
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.11
• IUPAC Name: 3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide
• SMILES: CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1
• InChI: InChI=1S/C20H22N4O3S2/c1-23(2)29(26,27)17-9-11-28-19(17)20(25)21-15-7-5-6-14(12-15)16-13-24-10-4-3-8-18(24)22-16/h5-7,9,11-13H,3-4,8,10H2,1-2H3,(H,21,25)
• InChIKey: QQYPROPFSSADDD-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide?

The IUPAC name of 3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide (CID 86933739) is 3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide.

What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide?

The canonical SMILES for 3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide is CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1.

What is the InChIKey of 3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide?

The InChIKey is QQYPROPFSSADDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c1-23(2)29(26,27)17-9-11-28-19(17)20(25)21-15-7-5-6-14(12-15)16-13-24-10-4-3-8-18(24)22-16/h5-7,9,11-13H,3-4,8,10H2,1-2H3,(H,21,25).

What are the key properties of 3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide?

3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 86933739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).