N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide

C20H28N3O3S2+ — CID 11928199

About N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide

N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide (PubChem CID 11928199) has the molecular formula C20H28N3O3S2+ and a molecular weight of 422.60 g/mol. Its IUPAC name is N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
• PubChem CID: 11928199
• Molecular Formula: C20H28N3O3S2+
• Molecular Weight: 422.60 g/mol
• Exact Mass: 422.16
• IUPAC Name: N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
• SMILES: CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC[C@@H]2c2cccs2)cc1
• InChI: InChI=1S/C20H27N3O3S2/c1-15(2)22(3)28(25,26)17-10-8-16(9-11-17)21-20(24)14-23-12-4-6-18(23)19-7-5-13-27-19/h5,7-11,13,15,18H,4,6,12,14H2,1-3H3,(H,21,24)/p+1/t18-/m1/s1
• InChIKey: ZFEAIDQSMPWRNP-GOSISDBHSA-O
• XLogP: 2.14
• TPSA: 70.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.60
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide?

The IUPAC name of N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide (CID 11928199) is N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide.

What is the SMILES notation for N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide?

The canonical SMILES for N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC[C@@H]2c2cccs2)cc1.

What is the InChIKey of N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide?

The InChIKey is ZFEAIDQSMPWRNP-GOSISDBHSA-O. The full InChI is InChI=1S/C20H27N3O3S2/c1-15(2)22(3)28(25,26)17-10-8-16(9-11-17)21-20(24)14-23-12-4-6-18(23)19-7-5-13-27-19/h5,7-11,13,15,18H,4,6,12,14H2,1-3H3,(H,21,24)/p+1/t18-/m1/s1.

What are the key properties of N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide?

N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide has a molecular weight of 422.60 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 11928199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).