(2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide

C21H16ClN3O3S — CID 41293002

About (2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide

(2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide (PubChem CID 41293002) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
• PubChem CID: 41293002
• Molecular Formula: C21H16ClN3O3S
• Molecular Weight: 425.90 g/mol
• Exact Mass: 425.06
• IUPAC Name: (2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
• SMILES: Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)o2)c2ccccc2)cc1Cl
• InChI: InChI=1S/C21H16ClN3O3S/c1-13-9-10-15(12-16(13)22)23-19(26)18(14-6-3-2-4-7-14)29-21-25-24-20(28-21)17-8-5-11-27-17/h2-12,18H,1H3,(H,23,26)/t18-/m0/s1
• InChIKey: GCXZAJWAIPXBKU-SFHVURJKSA-N
• XLogP: 5.76
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.90
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?

The IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide (CID 41293002) is (2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide.

What is the SMILES notation for (2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?

The canonical SMILES for (2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide is Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)o2)c2ccccc2)cc1Cl.

What is the InChIKey of (2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?

The InChIKey is GCXZAJWAIPXBKU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-13-9-10-15(12-16(13)22)23-19(26)18(14-6-3-2-4-7-14)29-21-25-24-20(28-21)17-8-5-11-27-17/h2-12,18H,1H3,(H,23,26)/t18-/m0/s1.

What are the key properties of (2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?

(2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide has a molecular weight of 425.90 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 41293002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).