N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide

C31H32N4O4 — CID 71233971

About N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide

N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide (PubChem CID 71233971) has the molecular formula C31H32N4O4 and a molecular weight of 524.62 g/mol. Its IUPAC name is N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
• PubChem CID: 71233971
• Molecular Formula: C31H32N4O4
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.24
• IUPAC Name: N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
• SMILES: COc1cccc(CNC(=O)c2ccc(N3CCN(c4ccccc4C)CC3)c(NC(=O)c3ccco3)c2)c1
• InChI: InChI=1S/C31H32N4O4/c1-22-7-3-4-10-27(22)34-14-16-35(17-15-34)28-13-12-24(20-26(28)33-31(37)29-11-6-18-39-29)30(36)32-21-23-8-5-9-25(19-23)38-2/h3-13,18-20H,14-17,21H2,1-2H3,(H,32,36)(H,33,37)
• InChIKey: UGYVPTZRXYQVJA-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 87.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?

The IUPAC name of N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide (CID 71233971) is N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide is COc1cccc(CNC(=O)c2ccc(N3CCN(c4ccccc4C)CC3)c(NC(=O)c3ccco3)c2)c1.

What is the InChIKey of N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?

The InChIKey is UGYVPTZRXYQVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O4/c1-22-7-3-4-10-27(22)34-14-16-35(17-15-34)28-13-12-24(20-26(28)33-31(37)29-11-6-18-39-29)30(36)32-21-23-8-5-9-25(19-23)38-2/h3-13,18-20H,14-17,21H2,1-2H3,(H,32,36)(H,33,37).

What are the key properties of N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide?

N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 524.62 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 71233971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).