N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide

C111H115Cl2FN8O21S4 — CID 91277326

IUPACN-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide
SMILESCCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Cl)S(=O)(=O)c1cc(C)cc(C)c1.CCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Cl)S(=O)(=O)c1ccc(C(C)(C)C)cc1.CCC(C)c1ccc(Oc2cc(NC(=O)c3ccc(C)cc3)c(O)cc2NC(=O)CS(=O)(=O)c2cccc(C)c2)cc1.Cc1ccc(S(=O)(=O)C(C)C(=O)Nc2cc(O)c(NC(=O)c3cccc(C)c3)cc2F)cc1
InChIInChI=1S/C33H34N2O6S.C28H31ClN2O5S.C26H27ClN2O5S.C24H23FN2O5S/c1-5-23(4)24-13-15-26(16-14-24)41-31-19-28(35-33(38)25-11-9-21(2)10-12-25)30(36)18-29(31)34-32(37)20-42(39,40)27-8-6-7-22(3)17-27;1-6-25(37(35,36)20-13-11-19(12-14-20)28(3,4)5)27(34)30-22-16-24(32)23(15-21(22)29)31-26(33)18-9-7-17(2)8-10-18;1-5-24(35(33,34)19-11-16(3)10-17(4)12-19)26(32)28-21-14-23(30)22(13-20(21)27)29-25(31)18-8-6-15(2)7-9-18;1-14-7-9-18(10-8-14)33(31,32)16(3)23(29)26-20-13-22(28)21(12-19(20)25)27-24(30)17-6-4-5-15(2)11-17/h6-19,23,36H,5,20H2,1-4H3,(H,34,37)(H,35,38);7-16,25,32H,6H2,1-5H3,(H,30,34)(H,31,33);6-14,24,30H,5H2,1-4H3,(H,28,32)(H,29,31);4-13,16,28H,1-3H3,(H,26,29)(H,27,30)
InChIKeyZMKBQEROEXXSQD-UHFFFAOYSA-N
MW2115.35 g/mol
LogP22.69
Rot. Bonds30

About N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide

N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide (PubChem CID 91277326) has the molecular formula C111H115Cl2FN8O21S4 and a molecular weight of 2115.35 g/mol. Its IUPAC name is N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide
PubChem CID91277326
Molecular FormulaC111H115Cl2FN8O21S4
Molecular Weight2115.35 g/mol
Exact Mass2112.64
IUPAC NameN-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide
SMILESCCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Cl)S(=O)(=O)c1cc(C)cc(C)c1.CCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Cl)S(=O)(=O)c1ccc(C(C)(C)C)cc1.CCC(C)c1ccc(Oc2cc(NC(=O)c3ccc(C)cc3)c(O)cc2NC(=O)CS(=O)(=O)c2cccc(C)c2)cc1.Cc1ccc(S(=O)(=O)C(C)C(=O)Nc2cc(O)c(NC(=O)c3cccc(C)c3)cc2F)cc1
InChIInChI=1S/C33H34N2O6S.C28H31ClN2O5S.C26H27ClN2O5S.C24H23FN2O5S/c1-5-23(4)24-13-15-26(16-14-24)41-31-19-28(35-33(38)25-11-9-21(2)10-12-25)30(36)18-29(31)34-32(37)20-42(39,40)27-8-6-7-22(3)17-27;1-6-25(37(35,36)20-13-11-19(12-14-20)28(3,4)5)27(34)30-22-16-24(32)23(15-21(22)29)31-26(33)18-9-7-17(2)8-10-18;1-5-24(35(33,34)19-11-16(3)10-17(4)12-19)26(32)28-21-14-23(30)22(13-20(21)27)29-25(31)18-8-6-15(2)7-9-18;1-14-7-9-18(10-8-14)33(31,32)16(3)23(29)26-20-13-22(28)21(12-19(20)25)27-24(30)17-6-4-5-15(2)11-17/h6-19,23,36H,5,20H2,1-4H3,(H,34,37)(H,35,38);7-16,25,32H,6H2,1-5H3,(H,30,34)(H,31,33);6-14,24,30H,5H2,1-4H3,(H,28,32)(H,29,31);4-13,16,28H,1-3H3,(H,26,29)(H,27,30)
InChIKeyZMKBQEROEXXSQD-UHFFFAOYSA-N
XLogP22.69
TPSA459.51 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002115.35
LogP ≤ 522.69
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide with MolForge

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Related Compounds

N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[(3-methylphenyl)sulfonylmethylamino]phenyl]-4-methylbenzamide
CID 22950649
N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,4-dimethylphenyl)sulfonylpropanoylamino]-2-hydroxyphenyl]-4-methylbenzamide
CID 90889339
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)
CID 91365378
N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpentanoylamino]phenyl]-4-methylbenzamide
CID 22886532
N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-4-cyanobenzamide
CID 22964937
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-2-hydroxybenzamide
CID 59950442
4-chloro-N-[5-chloro-2-hydroxy-4-[2-(4-hydroxy-3-methylphenoxy)propanoylamino]phenyl]benzamide;N-[5-chloro-2-hydroxy-4-[2-[4-(propanoylamino)phenoxy]propanoylamino]phenyl]-2,3,4,5,6-pentafluorobenzamide;3,5-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-(2-methylpropanoylamino)phenyl]-4-(methylideneamino)benzamide
CID 90825126
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-2-phenoxybutanamide
CID 20665617
N-[4-[2-(benzenesulfonyl)butanoylamino]-5-chloro-2-hydroxyphenyl]-2-chloro-4-methylbenzamide
CID 59950451
3-chloro-N-[5-chloro-2-hydroxy-4-[2-(2-methylpyrimidin-5-yl)sulfonylbutanoylamino]phenyl]-4-fluorobenzamide
CID 59935585
3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-[4-(2-methyloctoxy)phenyl]sulfonylbutanoylamino]phenyl]benzamide
CID 59940425
N-[2-chloro-5-hydroxy-4-(2-methylprop-2-enoylamino)phenyl]-2-(4-methylphenyl)sulfonylbutanamide
CID 20618135

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide?
The IUPAC name of N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide (CID 91277326) is N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide is CCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Cl)S(=O)(=O)c1cc(C)cc(C)c1.CCC(C(=O)Nc1cc(O)c(NC(=O)c2ccc(C)cc2)cc1Cl)S(=O)(=O)c1ccc(C(C)(C)C)cc1.CCC(C)c1ccc(Oc2cc(NC(=O)c3ccc(C)cc3)c(O)cc2NC(=O)CS(=O)(=O)c2cccc(C)c2)cc1.Cc1ccc(S(=O)(=O)C(C)C(=O)Nc2cc(O)c(NC(=O)c3cccc(C)c3)cc2F)cc1.
What is the InChIKey of N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide?
The InChIKey is ZMKBQEROEXXSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O6S.C28H31ClN2O5S.C26H27ClN2O5S.C24H23FN2O5S/c1-5-23(4)24-13-15-26(16-14-24)41-31-19-28(35-33(38)25-11-9-21(2)10-12-25)30(36)18-29(31)34-32(37)20-42(39,40)27-8-6-7-22(3)17-27;1-6-25(37(35,36)20-13-11-19(12-14-20)28(3,4)5)27(34)30-22-16-24(32)23(15-21(22)29)31-26(33)18-9-7-17(2)8-10-18;1-5-24(35(33,34)19-11-16(3)10-17(4)12-19)26(32)28-21-14-23(30)22(13-20(21)27)29-25(31)18-8-6-15(2)7-9-18;1-14-7-9-18(10-8-14)33(31,32)16(3)23(29)26-20-13-22(28)21(12-19(20)25)27-24(30)17-6-4-5-15(2)11-17/h6-19,23,36H,5,20H2,1-4H3,(H,34,37)(H,35,38);7-16,25,32H,6H2,1-5H3,(H,30,34)(H,31,33);6-14,24,30H,5H2,1-4H3,(H,28,32)(H,29,31);4-13,16,28H,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide?
N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide has a molecular weight of 2115.35 g/mol, XLogP of 22.69, 30 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-butan-2-ylphenoxy)-2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]-4-methylbenzamide;N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,5-dimethylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]-4-methylbenzamide;N-[5-fluoro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 91277326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).