4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide

C65H84Cl2N10O13S — CID 90721333

IUPAC4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)c2cncn2-c2ccccc2)N2C(=O)OC(C)C2=O)c1.CCCCCCCCCCCCNS(=O)(=O)c1ccc(Cl)c(NC(=O)C(C(=O)c2cncn2C)N2C(=O)OC(C)(C)C2=O)c1
InChIInChI=1S/C35H42ClN5O6.C30H42ClN5O7S/c1-3-4-5-6-7-8-9-10-11-15-20-38-32(43)25-18-19-27(36)28(21-25)39-33(44)30(41-34(45)24(2)47-35(41)46)31(42)29-22-37-23-40(29)26-16-13-12-14-17-26;1-5-6-7-8-9-10-11-12-13-14-17-33-44(41,42)21-15-16-22(31)23(18-21)34-27(38)25(26(37)24-19-32-20-35(24)4)36-28(39)30(2,3)43-29(36)40/h12-14,16-19,21-24,30H,3-11,15,20H2,1-2H3,(H,38,43)(H,39,44);15-16,18-20,25,33H,5-14,17H2,1-4H3,(H,34,38)
InChIKeySMCDQSDEYPPTQR-UHFFFAOYSA-N
MW1316.42 g/mol
LogP11.95
Rot. Bonds36

About 4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide

4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide (PubChem CID 90721333) has the molecular formula C65H84Cl2N10O13S and a molecular weight of 1316.42 g/mol. Its IUPAC name is 4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide.

Molecular Properties

Compound Name4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide
PubChem CID90721333
Molecular FormulaC65H84Cl2N10O13S
Molecular Weight1316.42 g/mol
Exact Mass1314.53
IUPAC Name4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)c2cncn2-c2ccccc2)N2C(=O)OC(C)C2=O)c1.CCCCCCCCCCCCNS(=O)(=O)c1ccc(Cl)c(NC(=O)C(C(=O)c2cncn2C)N2C(=O)OC(C)(C)C2=O)c1
InChIInChI=1S/C35H42ClN5O6.C30H42ClN5O7S/c1-3-4-5-6-7-8-9-10-11-15-20-38-32(43)25-18-19-27(36)28(21-25)39-33(44)30(41-34(45)24(2)47-35(41)46)31(42)29-22-37-23-40(29)26-16-13-12-14-17-26;1-5-6-7-8-9-10-11-12-13-14-17-33-44(41,42)21-15-16-22(31)23(18-21)34-27(38)25(26(37)24-19-32-20-35(24)4)36-28(39)30(2,3)43-29(36)40/h12-14,16-19,21-24,30H,3-11,15,20H2,1-2H3,(H,38,43)(H,39,44);15-16,18-20,25,33H,5-14,17H2,1-4H3,(H,34,38)
InChIKeySMCDQSDEYPPTQR-UHFFFAOYSA-N
XLogP11.95
TPSA296.47 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.42
LogP ≤ 511.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide with MolForge

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Related Compounds

N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(4-methoxy-5-phenyl-1,3-oxazol-2-yl)-3-oxopropanamide
CID 20821031
N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide
CID 20821024
N-(2-chloro-4-dodecylsulfonylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(2-phenyl-3,4-dihydropyrazol-5-yl)propanamide
CID 20821002
hexadecyl 4-chloro-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1-methylimidazol-2-yl)-3-oxopropanoyl]amino]benzoate
CID 20820973
N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-3-(2-methyl-1-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-yl)-3-oxopropanamide
CID 54021694
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
CID 32646922
dodecyl 3-[[3-(2-benzylpyrazol-3-yl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-hydroxypropanoyl]amino]-4-chlorobenzoate
CID 90833653
4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
CID 60604741
N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
CID 109061392
4-[[2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-3-(2,4-dimethyl-1,3-oxazol-5-yl)-3-oxopropanoyl]amino]-3-chloro-N-octylbenzamide
CID 20820923
N-[3-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1-phenylimidazol-4-yl)propanoyl]amino]-4-methoxyphenyl]octadecanamide
CID 20821054
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CID 109058608

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide?
The IUPAC name of 4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide (CID 90721333) is 4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide.
What is the SMILES notation for 4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide?
The canonical SMILES for 4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide is CCCCCCCCCCCCNC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)c2cncn2-c2ccccc2)N2C(=O)OC(C)C2=O)c1.CCCCCCCCCCCCNS(=O)(=O)c1ccc(Cl)c(NC(=O)C(C(=O)c2cncn2C)N2C(=O)OC(C)(C)C2=O)c1.
What is the InChIKey of 4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide?
The InChIKey is SMCDQSDEYPPTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42ClN5O6.C30H42ClN5O7S/c1-3-4-5-6-7-8-9-10-11-15-20-38-32(43)25-18-19-27(36)28(21-25)39-33(44)30(41-34(45)24(2)47-35(41)46)31(42)29-22-37-23-40(29)26-16-13-12-14-17-26;1-5-6-7-8-9-10-11-12-13-14-17-33-44(41,42)21-15-16-22(31)23(18-21)34-27(38)25(26(37)24-19-32-20-35(24)4)36-28(39)30(2,3)43-29(36)40/h12-14,16-19,21-24,30H,3-11,15,20H2,1-2H3,(H,38,43)(H,39,44);15-16,18-20,25,33H,5-14,17H2,1-4H3,(H,34,38).
What are the key properties of 4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide?
4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide has a molecular weight of 1316.42 g/mol, XLogP of 11.95, 36 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-dodecyl-3-[[2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(3-phenylimidazol-4-yl)propanoyl]amino]benzamide;N-[2-chloro-5-(dodecylsulfamoyl)phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(3-methylimidazol-4-yl)-3-oxopropanamide is sourced from PubChem (CID 90721333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).