N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide

C21H22N4O2S — CID 7361927

About N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide

N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide (PubChem CID 7361927) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide
• PubChem CID: 7361927
• Molecular Formula: C21H22N4O2S
• Molecular Weight: 394.50 g/mol
• Exact Mass: 394.15
• IUPAC Name: N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide
• SMILES: CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1
• InChI: InChI=1S/C21H22N4O2S/c1-3-14(2)17(22-18(26)15-10-6-4-7-11-15)19(27)23-21-25-24-20(28-21)16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H,22,26)(H,23,25,27)/t14-,17+/m0/s1
• InChIKey: XVCILAGWYYMREP-WMLDXEAASA-N
• XLogP: 3.99
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.50
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide?

The IUPAC name of N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide (CID 7361927) is N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide.

What is the SMILES notation for N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide?

The canonical SMILES for N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide is CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1.

What is the InChIKey of N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide?

The InChIKey is XVCILAGWYYMREP-WMLDXEAASA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-3-14(2)17(22-18(26)15-10-6-4-7-11-15)19(27)23-21-25-24-20(28-21)16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H,22,26)(H,23,25,27)/t14-,17+/m0/s1.

What are the key properties of N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide?

N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide is sourced from PubChem (CID 7361927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).