N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide

C26H29N3O3S — CID 55967083

About N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide

N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 55967083) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
• PubChem CID: 55967083
• Molecular Formula: C26H29N3O3S
• Molecular Weight: 463.60 g/mol
• Exact Mass: 463.19
• IUPAC Name: N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
• SMILES: CC(C)NC(=O)Cc1ccc(NC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)cc1
• InChI: InChI=1S/C26H29N3O3S/c1-16(2)19-7-9-20(10-8-19)24(31)29-26-22(13-14-33-26)25(32)28-21-11-5-18(6-12-21)15-23(30)27-17(3)4/h5-14,16-17H,15H2,1-4H3,(H,27,30)(H,28,32)(H,29,31)
• InChIKey: PWACNQRVPXVEEV-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 87.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.60
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?

The IUPAC name of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide (CID 55967083) is N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide.

What is the SMILES notation for N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?

The canonical SMILES for N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide is CC(C)NC(=O)Cc1ccc(NC(=O)c2ccsc2NC(=O)c2ccc(C(C)C)cc2)cc1.

What is the InChIKey of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?

The InChIKey is PWACNQRVPXVEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-16(2)19-7-9-20(10-8-19)24(31)29-26-22(13-14-33-26)25(32)28-21-11-5-18(6-12-21)15-23(30)27-17(3)4/h5-14,16-17H,15H2,1-4H3,(H,27,30)(H,28,32)(H,29,31).

What are the key properties of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide?

N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 5.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 55967083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).