N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide

C19H20N4O2S2 — CID 7399918

About N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 7399918) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
• PubChem CID: 7399918
• Molecular Formula: C19H20N4O2S2
• Molecular Weight: 400.53 g/mol
• Exact Mass: 400.10
• IUPAC Name: N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
• SMILES: Cc1ccc(-c2nnc(NC(=O)[C@H](NC(=O)c3cccs3)C(C)C)s2)cc1
• InChI: InChI=1S/C19H20N4O2S2/c1-11(2)15(20-16(24)14-5-4-10-26-14)17(25)21-19-23-22-18(27-19)13-8-6-12(3)7-9-13/h4-11,15H,1-3H3,(H,20,24)(H,21,23,25)/t15-/m1/s1
• InChIKey: JDFQNWOTCKCSFN-OAHLLOKOSA-N
• XLogP: 3.97
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.53
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 7399918) is N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide is Cc1ccc(-c2nnc(NC(=O)[C@H](NC(=O)c3cccs3)C(C)C)s2)cc1.

What is the InChIKey of N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?

The InChIKey is JDFQNWOTCKCSFN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-11(2)15(20-16(24)14-5-4-10-26-14)17(25)21-19-23-22-18(27-19)13-8-6-12(3)7-9-13/h4-11,15H,1-3H3,(H,20,24)(H,21,23,25)/t15-/m1/s1.

What are the key properties of N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide?

N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 7399918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).