N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide

C24H28N2O3S — CID 46740131

About N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide

N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 46740131) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 46740131
• Molecular Formula: C24H28N2O3S
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.18
• IUPAC Name: N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: Cc1cc(C(c2ccc(C(C)C)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1
• InChI: InChI=1S/C24H28N2O3S/c1-16(2)18-6-8-19(9-7-18)22(26-10-13-28-14-11-26)20-15-17(3)30-24(20)25-23(27)21-5-4-12-29-21/h4-9,12,15-16,22H,10-11,13-14H2,1-3H3,(H,25,27)
• InChIKey: SNGADZIUIQVPPB-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide (CID 46740131) is N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(C(c2ccc(C(C)C)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1.

What is the InChIKey of N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is SNGADZIUIQVPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-16(2)18-6-8-19(9-7-18)22(26-10-13-28-14-11-26)20-15-17(3)30-24(20)25-23(27)21-5-4-12-29-21/h4-9,12,15-16,22H,10-11,13-14H2,1-3H3,(H,25,27).

What are the key properties of N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide?

N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-3-[morpholin-4-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46740131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).