N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C22H19N3O3S3 — CID 16830697

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 16830697) has the molecular formula C22H19N3O3S3 and a molecular weight of 469.61 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
• PubChem CID: 16830697
• Molecular Formula: C22H19N3O3S3
• Molecular Weight: 469.61 g/mol
• Exact Mass: 469.06
• IUPAC Name: N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCCN1S(=O)(=O)c1cccs1
• InChI: InChI=1S/C22H19N3O3S3/c26-21(19-7-3-11-25(19)31(27,28)20-8-4-12-29-20)24-22-23-18(14-30-22)17-10-9-15-5-1-2-6-16(15)13-17/h1-2,4-6,8-10,12-14,19H,3,7,11H2,(H,23,24,26)
• InChIKey: NUHBQOZXMORCPG-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.61
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?

The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 16830697) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?

The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCCN1S(=O)(=O)c1cccs1.

What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?

The InChIKey is NUHBQOZXMORCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S3/c26-21(19-7-3-11-25(19)31(27,28)20-8-4-12-29-20)24-22-23-18(14-30-22)17-10-9-15-5-1-2-6-16(15)13-17/h1-2,4-6,8-10,12-14,19H,3,7,11H2,(H,23,24,26).

What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 16830697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).