N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide

C20H16N4O2S3 — CID 56502809

About N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 56502809) has the molecular formula C20H16N4O2S3 and a molecular weight of 440.58 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide
• PubChem CID: 56502809
• Molecular Formula: C20H16N4O2S3
• Molecular Weight: 440.58 g/mol
• Exact Mass: 440.04
• IUPAC Name: N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide
• SMILES: O=C(NC(Cc1ccccc1)C(=O)Nc1nnc(-c2ccsc2)s1)c1cccs1
• InChI: InChI=1S/C20H16N4O2S3/c25-17(22-20-24-23-19(29-20)14-8-10-27-12-14)15(11-13-5-2-1-3-6-13)21-18(26)16-7-4-9-28-16/h1-10,12,15H,11H2,(H,21,26)(H,22,24,25)
• InChIKey: UVHACKSXWZQFNN-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.58
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide (CID 56502809) is N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)Nc1nnc(-c2ccsc2)s1)c1cccs1.

What is the InChIKey of N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide?

The InChIKey is UVHACKSXWZQFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S3/c25-17(22-20-24-23-19(29-20)14-8-10-27-12-14)15(11-13-5-2-1-3-6-13)21-18(26)16-7-4-9-28-16/h1-10,12,15H,11H2,(H,21,26)(H,22,24,25).

What are the key properties of N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide?

N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 440.58 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-oxo-3-phenyl-1-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56502809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).