N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C23H23N3O2S — CID 174033118

About N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 174033118) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 174033118
• Molecular Formula: C23H23N3O2S
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.15
• IUPAC Name: N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• SMILES: C=C1N/C=C\C/C=C\C=C1NC(=O)C(Cc1ccccc1)NC(=O)c1cccs1
• InChI: InChI=1S/C23H23N3O2S/c1-17-19(12-7-2-3-8-14-24-17)25-22(27)20(16-18-10-5-4-6-11-18)26-23(28)21-13-9-15-29-21/h2,4-15,20,24H,1,3,16H2,(H,25,27)(H,26,28)/b7-2-,14-8-,19-12?
• InChIKey: OVTPGZUENXAPAZ-ZTWAPRFJSA-N
• XLogP: 3.67
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.52
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 174033118) is N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is C=C1N/C=C\C/C=C\C=C1NC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.

What is the InChIKey of N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The InChIKey is OVTPGZUENXAPAZ-ZTWAPRFJSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-17-19(12-7-2-3-8-14-24-17)25-22(27)20(16-18-10-5-4-6-11-18)26-23(28)21-13-9-15-29-21/h2,4-15,20,24H,1,3,16H2,(H,25,27)(H,26,28)/b7-2-,14-8-,19-12?.

What are the key properties of N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 174033118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).