N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide

C20H24FN3O3S2 — CID 41291794

About N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide

N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 41291794) has the molecular formula C20H24FN3O3S2 and a molecular weight of 437.56 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
• PubChem CID: 41291794
• Molecular Formula: C20H24FN3O3S2
• Molecular Weight: 437.56 g/mol
• Exact Mass: 437.12
• IUPAC Name: N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
• SMILES: O=C(CSc1nccn1-c1cccc(F)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1
• InChI: InChI=1S/C20H24FN3O3S2/c21-15-4-3-7-17(12-15)23-10-9-22-20(23)28-13-19(25)24(16-5-1-2-6-16)18-8-11-29(26,27)14-18/h3-4,7,9-10,12,16,18H,1-2,5-6,8,11,13-14H2/t18-/m0/s1
• InChIKey: ZYCGCACFTPTULI-SFHVURJKSA-N
• XLogP: 3.06
• TPSA: 72.27 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.56
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?

The IUPAC name of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide (CID 41291794) is N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide.

What is the SMILES notation for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?

The canonical SMILES for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide is O=C(CSc1nccn1-c1cccc(F)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1.

What is the InChIKey of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?

The InChIKey is ZYCGCACFTPTULI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24FN3O3S2/c21-15-4-3-7-17(12-15)23-10-9-22-20(23)28-13-19(25)24(16-5-1-2-6-16)18-8-11-29(26,27)14-18/h3-4,7,9-10,12,16,18H,1-2,5-6,8,11,13-14H2/t18-/m0/s1.

What are the key properties of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?

N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 437.56 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 41291794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).