(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide

C19H20N4O4S — CID 8663186

About (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide

(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide (PubChem CID 8663186) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
• PubChem CID: 8663186
• Molecular Formula: C19H20N4O4S
• Molecular Weight: 400.46 g/mol
• Exact Mass: 400.12
• IUPAC Name: (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
• SMILES: Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)Sc2nnc(-c3ccco3)o2)cc1
• InChI: InChI=1S/C19H20N4O4S/c1-12-6-8-14(9-7-12)20-16(24)11-23(3)18(25)13(2)28-19-22-21-17(27-19)15-5-4-10-26-15/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m1/s1
• InChIKey: MLSDEKKEEXWEDL-CYBMUJFWSA-N
• XLogP: 3.22
• TPSA: 101.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.46
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?

The IUPAC name of (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide (CID 8663186) is (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide.

What is the SMILES notation for (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?

The canonical SMILES for (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide is Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)Sc2nnc(-c3ccco3)o2)cc1.

What is the InChIKey of (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?

The InChIKey is MLSDEKKEEXWEDL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-12-6-8-14(9-7-12)20-16(24)11-23(3)18(25)13(2)28-19-22-21-17(27-19)15-5-4-10-26-15/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m1/s1.

What are the key properties of (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?

(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide has a molecular weight of 400.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 8663186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).