N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C28H26ClNO3S — CID 19456610

About N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19456610) has the molecular formula C28H26ClNO3S and a molecular weight of 492.04 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19456610
• Molecular Formula: C28H26ClNO3S
• Molecular Weight: 492.04 g/mol
• Exact Mass: 491.13
• IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccccc3Sc3ccc(Cl)cc3)o2)c1
• InChI: InChI=1S/C28H26ClNO3S/c1-18(2)23-14-8-19(3)16-26(23)32-17-21-11-15-25(33-21)28(31)30-24-6-4-5-7-27(24)34-22-12-9-20(29)10-13-22/h4-16,18H,17H2,1-3H3,(H,30,31)
• InChIKey: CZAZLOQJYVUHTQ-UHFFFAOYSA-N
• XLogP: 8.35
• TPSA: 51.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.04
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19456610) is N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccccc3Sc3ccc(Cl)cc3)o2)c1.

What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is CZAZLOQJYVUHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClNO3S/c1-18(2)23-14-8-19(3)16-26(23)32-17-21-11-15-25(33-21)28(31)30-24-6-4-5-7-27(24)34-22-12-9-20(29)10-13-22/h4-16,18H,17H2,1-3H3,(H,30,31).

What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 492.04 g/mol, XLogP of 8.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19456610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).