N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide

C23H19N3O3S2 — CID 22782420

About N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 22782420) has the molecular formula C23H19N3O3S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
• PubChem CID: 22782420
• Molecular Formula: C23H19N3O3S2
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.09
• IUPAC Name: N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
• SMILES: Cc1cc(NC(=O)C(Sc2ccc(NC(=O)c3cccs3)cc2)c2ccccc2)no1
• InChI: InChI=1S/C23H19N3O3S2/c1-15-14-20(26-29-15)25-23(28)21(16-6-3-2-4-7-16)31-18-11-9-17(10-12-18)24-22(27)19-8-5-13-30-19/h2-14,21H,1H3,(H,24,27)(H,25,26,28)
• InChIKey: HCHSZWILILFQAS-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 22782420) is N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide is Cc1cc(NC(=O)C(Sc2ccc(NC(=O)c3cccs3)cc2)c2ccccc2)no1.

What is the InChIKey of N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide?

The InChIKey is HCHSZWILILFQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S2/c1-15-14-20(26-29-15)25-23(28)21(16-6-3-2-4-7-16)31-18-11-9-17(10-12-18)24-22(27)19-8-5-13-30-19/h2-14,21H,1H3,(H,24,27)(H,25,26,28).

What are the key properties of N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide?

N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 22782420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).