3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide

C20H22N4O3S2 — CID 22467915

About 3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide

3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 22467915) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
• PubChem CID: 22467915
• Molecular Formula: C20H22N4O3S2
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.11
• IUPAC Name: 3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
• SMILES: O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(S(=O)(=O)c2ncc[nH]2)cc1
• InChI: InChI=1S/C20H22N4O3S2/c25-18(24-19-21-11-12-28-19)17(13-14-3-1-2-4-14)15-5-7-16(8-6-15)29(26,27)20-22-9-10-23-20/h5-12,14,17H,1-4,13H2,(H,22,23)(H,21,24,25)
• InChIKey: OGUQDTCBPZZICG-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide (CID 22467915) is 3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(S(=O)(=O)c2ncc[nH]2)cc1.

What is the InChIKey of 3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?

The InChIKey is OGUQDTCBPZZICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c25-18(24-19-21-11-12-28-19)17(13-14-3-1-2-4-14)15-5-7-16(8-6-15)29(26,27)20-22-9-10-23-20/h5-12,14,17H,1-4,13H2,(H,22,23)(H,21,24,25).

What are the key properties of 3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?

3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 430.56 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-2-[4-(1H-imidazol-2-ylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22467915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).