4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid

C82H80N4O23S4 — CID 158552337

IUPAC4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid
SMILESCCCOc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1.CCOc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1.COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1.O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C22H23NO6S.C21H21NO6S.C20H19NO6S.C19H17NO5S/c1-2-13-28-19-9-5-17(6-10-19)15-23(16-20-4-3-14-29-20)30(26,27)21-11-7-18(8-12-21)22(24)25;1-2-27-18-9-5-16(6-10-18)14-22(15-19-4-3-13-28-19)29(25,26)20-11-7-17(8-12-20)21(23)24;1-26-17-8-4-15(5-9-17)13-21(14-18-3-2-12-27-18)28(24,25)19-10-6-16(7-11-19)20(22)23;21-19(22)16-8-10-18(11-9-16)26(23,24)20(14-17-7-4-12-25-17)13-15-5-2-1-3-6-15/h3-12,14H,2,13,15-16H2,1H3,(H,24,25);3-13H,2,14-15H2,1H3,(H,23,24);2-12H,13-14H2,1H3,(H,22,23);1-12H,13-14H2,(H,21,22)
InChIKeyHPWJGRMCTFHCOY-UHFFFAOYSA-N
MW1617.81 g/mol
LogP14.67
Rot. Bonds34

About 4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid

4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid (PubChem CID 158552337) has the molecular formula C82H80N4O23S4 and a molecular weight of 1617.81 g/mol. Its IUPAC name is 4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid
PubChem CID158552337
Molecular FormulaC82H80N4O23S4
Molecular Weight1617.81 g/mol
Exact Mass1616.41
IUPAC Name4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid
SMILESCCCOc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1.CCOc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1.COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1.O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C22H23NO6S.C21H21NO6S.C20H19NO6S.C19H17NO5S/c1-2-13-28-19-9-5-17(6-10-19)15-23(16-20-4-3-14-29-20)30(26,27)21-11-7-18(8-12-21)22(24)25;1-2-27-18-9-5-16(6-10-18)14-22(15-19-4-3-13-28-19)29(25,26)20-11-7-17(8-12-20)21(23)24;1-26-17-8-4-15(5-9-17)13-21(14-18-3-2-12-27-18)28(24,25)19-10-6-16(7-11-19)20(22)23;21-19(22)16-8-10-18(11-9-16)26(23,24)20(14-17-7-4-12-25-17)13-15-5-2-1-3-6-15/h3-12,14H,2,13,15-16H2,1H3,(H,24,25);3-13H,2,14-15H2,1H3,(H,23,24);2-12H,13-14H2,1H3,(H,22,23);1-12H,13-14H2,(H,21,22)
InChIKeyHPWJGRMCTFHCOY-UHFFFAOYSA-N
XLogP14.67
TPSA378.97 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds34
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001617.81
LogP ≤ 514.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(N-(furan-2-ylmethyl)-N-(4-methoxybenzyl)sulfamoyl)benzoic acid
CID 23885504
4-[(4-Ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid
CID 1169522
4-(N-benzyl-N-(furan-2-ylmethyl)sulfamoyl)benzoic acid
CID 24134643
4-[Furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 25206327
4-[(4-Methoxyphenyl)methyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]benzoic acid
CID 57422357
4-Methoxybenzyl 4-(N-(furan-2-ylmethyl)-N-(4-methoxybenzyl)sulfamoyl)benzoate
CID 60208910
4-[Furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfinamoyl]benzoic acid
CID 143767084
4-[Furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfinamoyl]benzoic acid
CID 143767165
4-[(4-Ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfinamoyl]benzoic acid
CID 143767183
4-[Benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 157866084
4-[Furan-2-ylmethyl-[(2-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 158659305
9-Benzyl-1,5-bis[[4-(butoxymethyl)phenyl]sulfonyl]-3-methylidene-1,5,9-triazacyclododecane;9-[(5-methylfuran-2-yl)methyl]-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane;3-methylidene-1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane;3-methyl-1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecan-3-ol
CID 159682541

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid (CID 158552337) is 4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid is CCCOc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1.CCOc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1.COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1.O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of 4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid?
The InChIKey is HPWJGRMCTFHCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6S.C21H21NO6S.C20H19NO6S.C19H17NO5S/c1-2-13-28-19-9-5-17(6-10-19)15-23(16-20-4-3-14-29-20)30(26,27)21-11-7-18(8-12-21)22(24)25;1-2-27-18-9-5-16(6-10-18)14-22(15-19-4-3-13-28-19)29(25,26)20-11-7-17(8-12-20)21(23)24;1-26-17-8-4-15(5-9-17)13-21(14-18-3-2-12-27-18)28(24,25)19-10-6-16(7-11-19)20(22)23;21-19(22)16-8-10-18(11-9-16)26(23,24)20(14-17-7-4-12-25-17)13-15-5-2-1-3-6-15/h3-12,14H,2,13,15-16H2,1H3,(H,24,25);3-13H,2,14-15H2,1H3,(H,23,24);2-12H,13-14H2,1H3,(H,22,23);1-12H,13-14H2,(H,21,22).
What are the key properties of 4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid?
4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid has a molecular weight of 1617.81 g/mol, XLogP of 14.67, 34 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 158552337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).