N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide

C88H89Cl5N10O14S — CID 136649227

IUPACN-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccccc1SC1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N/C1=N\c1cc(C)ccc1Cl.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(O)c(NC(=O)Nc2ccc(C#N)cc2)cc1Oc1ccc(OC)cc1.Cc1ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)OC(C)(C)C2=O)c1
InChIInChI=1S/C35H36N4O6.C34H30Cl4N4O3S.C19H23ClN2O5/c1-5-6-7-32(45-31-17-8-22(2)18-23(31)3)34(41)38-29-19-30(40)28(20-33(29)44-27-15-13-26(43-4)14-16-27)39-35(42)37-25-11-9-24(21-36)10-12-25;1-5-27(45-28-13-11-18(2)14-20(28)4)33(43)40-25-8-6-7-9-29(25)46-31-32(39-26-15-19(3)10-12-22(26)36)41-42(34(31)44)30-23(37)16-21(35)17-24(30)38;1-10-7-8-11(20)12(9-10)21-15(24)13(14(23)18(2,3)4)22-16(25)19(5,6)27-17(22)26/h8-20,32,40H,5-7H2,1-4H3,(H,38,41)(H2,37,39,42);6-17,27,31H,5H2,1-4H3,(H,39,41)(H,40,43);7-9,13H,1-6H3,(H,21,24)
InChIKeyJGJFAYXSUMYWEG-UHFFFAOYSA-N
MW1720.07 g/mol
LogP20.99
Rot. Bonds25

About N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide

N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide (PubChem CID 136649227) has the molecular formula C88H89Cl5N10O14S and a molecular weight of 1720.07 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide
PubChem CID136649227
Molecular FormulaC88H89Cl5N10O14S
Molecular Weight1720.07 g/mol
Exact Mass1716.47
IUPAC NameN-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1ccccc1SC1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N/C1=N\c1cc(C)ccc1Cl.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(O)c(NC(=O)Nc2ccc(C#N)cc2)cc1Oc1ccc(OC)cc1.Cc1ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)OC(C)(C)C2=O)c1
InChIInChI=1S/C35H36N4O6.C34H30Cl4N4O3S.C19H23ClN2O5/c1-5-6-7-32(45-31-17-8-22(2)18-23(31)3)34(41)38-29-19-30(40)28(20-33(29)44-27-15-13-26(43-4)14-16-27)39-35(42)37-25-11-9-24(21-36)10-12-25;1-5-27(45-28-13-11-18(2)14-20(28)4)33(43)40-25-8-6-7-9-29(25)46-31-32(39-26-15-19(3)10-12-22(26)36)41-42(34(31)44)30-23(37)16-21(35)17-24(30)38;1-10-7-8-11(20)12(9-10)21-15(24)13(14(23)18(2,3)4)22-16(25)19(5,6)27-17(22)26/h8-20,32,40H,5-7H2,1-4H3,(H,38,41)(H2,37,39,42);6-17,27,31H,5H2,1-4H3,(H,39,41)(H,40,43);7-9,13H,1-6H3,(H,21,24)
InChIKeyJGJFAYXSUMYWEG-UHFFFAOYSA-N
XLogP20.99
TPSA317.75 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001720.07
LogP ≤ 520.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide with MolForge

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Related Compounds

N-[2-[3-[2-chloro-5-[2-(4-methylphenoxy)butanoylamino]phenyl]imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-3-ethyl-2-(4-methylphenoxy)nonanamide
CID 135623815
N-[4-chloro-3-[[4-[5-chloro-2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]sulfanyl-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-(2,4-dimethylphenoxy)butanamide
CID 135623851
N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)octanamide
CID 22085894
N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)propanamide
CID 58587415
N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide
CID 22947164
N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;N-(2-chloro-5-hydroxy-4-methylphenyl)-2-(2,4-dimethylphenoxy)hexanamide;[1-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)anilino]-3-methyl-1-oxobutan-2-yl] hexadecane-1-sulfinate;N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(3,4-dichlorophenyl)carbamoylamino]-5-hydroxy-2-(4-methylphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide;2-(2,4-dimethylphenoxy)-N-[4-[(4-fluorophenyl)carbamoylamino]-5-hydroxy-2-(2-hydroxyethoxy)phenyl]hexanamide
CID 54408049
2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4-[(2-hydroxy-4-methoxyphenyl)diazenyl]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]tetradecanamide
CID 135967670
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-cyanophenyl)carbamoylamino]-2-(4-ethylphenoxy)-5-hydroxyphenyl]hexanamide
CID 22955856
N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-methoxyphenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide
CID 23525004
N-[2-chloro-5-[2-(2,4-dipentylphenoxy)butanoylamino]phenyl]-2-(2,4-dioxo-5,5-dipropyl-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide
CID 101318490
N-[4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide
CID 15065657
N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]octadecanamide;N-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxobutanamide
CID 91020069

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide (CID 136649227) is N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide is CCC(Oc1ccc(C)cc1C)C(=O)Nc1ccccc1SC1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N/C1=N\c1cc(C)ccc1Cl.CCCCC(Oc1ccc(C)cc1C)C(=O)Nc1cc(O)c(NC(=O)Nc2ccc(C#N)cc2)cc1Oc1ccc(OC)cc1.Cc1ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)OC(C)(C)C2=O)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide?
The InChIKey is JGJFAYXSUMYWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N4O6.C34H30Cl4N4O3S.C19H23ClN2O5/c1-5-6-7-32(45-31-17-8-22(2)18-23(31)3)34(41)38-29-19-30(40)28(20-33(29)44-27-15-13-26(43-4)14-16-27)39-35(42)37-25-11-9-24(21-36)10-12-25;1-5-27(45-28-13-11-18(2)14-20(28)4)33(43)40-25-8-6-7-9-29(25)46-31-32(39-26-15-19(3)10-12-22(26)36)41-42(34(31)44)30-23(37)16-21(35)17-24(30)38;1-10-7-8-11(20)12(9-10)21-15(24)13(14(23)18(2,3)4)22-16(25)19(5,6)27-17(22)26/h8-20,32,40H,5-7H2,1-4H3,(H,38,41)(H2,37,39,42);6-17,27,31H,5H2,1-4H3,(H,39,41)(H,40,43);7-9,13H,1-6H3,(H,21,24).
What are the key properties of N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide?
N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide has a molecular weight of 1720.07 g/mol, XLogP of 20.99, 25 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-[3-(2-chloro-5-methylphenyl)imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-4-yl]sulfanylphenyl]-2-(2,4-dimethylphenoxy)butanamide;N-[4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-2-(4-methoxyphenoxy)phenyl]-2-(2,4-dimethylphenoxy)hexanamide is sourced from PubChem (CID 136649227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).