N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide

C26H30N2O4S — CID 18716979

IUPACN-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide
SMILESCc1cccc(-c2ccc(NS(C)(=O)=O)c(C(=O)Nc3cc(C)cc(C(C)(C)C)c3O)c2)c1
InChIInChI=1S/C26H30N2O4S/c1-16-8-7-9-18(12-16)19-10-11-22(28-33(6,31)32)20(15-19)25(30)27-23-14-17(2)13-21(24(23)29)26(3,4)5/h7-15,28-29H,1-6H3,(H,27,30)
InChIKeyIVTSXDPFLUCOCU-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.60
Rot. Bonds5

About N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide

N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide (PubChem CID 18716979) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide
PubChem CID18716979
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide
SMILESCc1cccc(-c2ccc(NS(C)(=O)=O)c(C(=O)Nc3cc(C)cc(C(C)(C)C)c3O)c2)c1
InChIInChI=1S/C26H30N2O4S/c1-16-8-7-9-18(12-16)19-10-11-22(28-33(6,31)32)20(15-19)25(30)27-23-14-17(2)13-21(24(23)29)26(3,4)5/h7-15,28-29H,1-6H3,(H,27,30)
InChIKeyIVTSXDPFLUCOCU-UHFFFAOYSA-N
XLogP5.60
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-hydroxy-5-methyl-4-(4-methylphenyl)benzamide
CID 18716877
5-chloro-2-(methanesulfonamido)-N-(3-methylphenyl)benzamide
CID 49191937
N-(3-tert-butyl-5-formyl-2-hydroxyphenyl)-3-(methanesulfonamido)benzamide;ethyl N-(3-tert-butyl-5-formyl-2-hydroxyphenyl)carbamate
CID 91195022
N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 102223921
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
N-tert-butyl-4-(3-methylphenyl)benzamide
CID 59900664
2,6-ditert-butyl-4-methylphenol;3-methylphenol
CID 141330574
5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid
CID 171346728
N-[4-(methanesulfonamido)phenyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55791169
2-(methanesulfonamido)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 51097784
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide?
The IUPAC name of N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide (CID 18716979) is N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide.
What is the SMILES notation for N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide?
The canonical SMILES for N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide is Cc1cccc(-c2ccc(NS(C)(=O)=O)c(C(=O)Nc3cc(C)cc(C(C)(C)C)c3O)c2)c1.
What is the InChIKey of N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide?
The InChIKey is IVTSXDPFLUCOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-16-8-7-9-18(12-16)19-10-11-22(28-33(6,31)32)20(15-19)25(30)27-23-14-17(2)13-21(24(23)29)26(3,4)5/h7-15,28-29H,1-6H3,(H,27,30).
What are the key properties of N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide?
N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide has a molecular weight of 466.60 g/mol, XLogP of 5.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-(methanesulfonamido)-5-(3-methylphenyl)benzamide is sourced from PubChem (CID 18716979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).