4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide

C54H65N5O15S2 — CID 158886256

About 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide

4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide (PubChem CID 158886256) has the molecular formula C54H65N5O15S2 and a molecular weight of 1088.27 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide.

Molecular Properties

• Compound Name: 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide
• PubChem CID: 158886256
• Molecular Formula: C54H65N5O15S2
• Molecular Weight: 1088.27 g/mol
• Exact Mass: 1087.39
• IUPAC Name: 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide
• SMILES: COc1ccc(-c2ccc(NC(=O)c3cc(C(=O)NS(=O)(=O)CCCN4CCOCC4)oc3C)cc2)cc1.COc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1.NS(=O)(=O)CCCN1CCOCC1
• InChI: InChI=1S/C27H31N3O7S.C20H18O5.C7H16N2O3S/c1-19-24(26(31)28-22-8-4-20(5-9-22)21-6-10-23(35-2)11-7-21)18-25(37-19)27(32)29-38(33,34)17-3-12-30-13-15-36-16-14-30;1-13-16(11-19(25-13)20(21)22)12-24-18-9-5-15(6-10-18)14-3-7-17(23-2)8-4-14;8-13(10,11)7-1-2-9-3-5-12-6-4-9/h4-11,18H,3,12-17H2,1-2H3,(H,28,31)(H,29,32);3-11H,12H2,1-2H3,(H,21,22);1-7H2,(H2,8,10,11)
• InChIKey: JDQZHMQQZUSFBL-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 268.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1088.27
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'furan_acid_A(4)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide?

The IUPAC name of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide (CID 158886256) is 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide.

What is the SMILES notation for 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide?

The canonical SMILES for 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide is COc1ccc(-c2ccc(NC(=O)c3cc(C(=O)NS(=O)(=O)CCCN4CCOCC4)oc3C)cc2)cc1.COc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1.NS(=O)(=O)CCCN1CCOCC1.

What is the InChIKey of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide?

The InChIKey is JDQZHMQQZUSFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O7S.C20H18O5.C7H16N2O3S/c1-19-24(26(31)28-22-8-4-20(5-9-22)21-6-10-23(35-2)11-7-21)18-25(37-19)27(32)29-38(33,34)17-3-12-30-13-15-36-16-14-30;1-13-16(11-19(25-13)20(21)22)12-24-18-9-5-15(6-10-18)14-3-7-17(23-2)8-4-14;8-13(10,11)7-1-2-9-3-5-12-6-4-9/h4-11,18H,3,12-17H2,1-2H3,(H,28,31)(H,29,32);3-11H,12H2,1-2H3,(H,21,22);1-7H2,(H2,8,10,11).

What are the key properties of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide?

4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide has a molecular weight of 1088.27 g/mol, XLogP of 6.84, 20 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;4-N-[4-(4-methoxyphenyl)phenyl]-5-methyl-2-N-(3-morpholin-4-ylpropylsulfonyl)furan-2,4-dicarboxamide;3-morpholin-4-ylpropane-1-sulfonamide is sourced from PubChem (CID 158886256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).