N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide

C17H18F2N4O3S — CID 18571000

About N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide

N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide (PubChem CID 18571000) has the molecular formula C17H18F2N4O3S and a molecular weight of 396.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
• PubChem CID: 18571000
• Molecular Formula: C17H18F2N4O3S
• Molecular Weight: 396.42 g/mol
• Exact Mass: 396.11
• IUPAC Name: N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
• SMILES: O=C(CSc1ncc(CO)n1CC(=O)NC1CC1)Nc1ccc(F)cc1F
• InChI: InChI=1S/C17H18F2N4O3S/c18-10-1-4-14(13(19)5-10)22-16(26)9-27-17-20-6-12(8-24)23(17)7-15(25)21-11-2-3-11/h1,4-6,11,24H,2-3,7-9H2,(H,21,25)(H,22,26)
• InChIKey: QKDRQRZECHGDAY-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 96.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.42
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide?

The IUPAC name of N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide (CID 18571000) is N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide.

What is the SMILES notation for N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide?

The canonical SMILES for N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide is O=C(CSc1ncc(CO)n1CC(=O)NC1CC1)Nc1ccc(F)cc1F.

What is the InChIKey of N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide?

The InChIKey is QKDRQRZECHGDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3S/c18-10-1-4-14(13(19)5-10)22-16(26)9-27-17-20-6-12(8-24)23(17)7-15(25)21-11-2-3-11/h1,4-6,11,24H,2-3,7-9H2,(H,21,25)(H,22,26).

What are the key properties of N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide?

N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide has a molecular weight of 396.42 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 18571000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).