N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide

C30H37N3O4S — CID 2347604

IUPACN-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCNC(=O)Cc3c(C)cc(C(C)(C)C)cc3C)cc2)cc1
InChIInChI=1S/C30H37N3O4S/c1-20-7-11-25(12-8-20)33-38(36,37)26-13-9-23(10-14-26)29(35)32-16-15-31-28(34)19-27-21(2)17-24(18-22(27)3)30(4,5)6/h7-14,17-18,33H,15-16,19H2,1-6H3,(H,31,34)(H,32,35)
InChIKeyMAQRUSCUMYLWSY-UHFFFAOYSA-N
MW535.71 g/mol
LogP4.80
Rot. Bonds9

About N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide

N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 2347604) has the molecular formula C30H37N3O4S and a molecular weight of 535.71 g/mol. Its IUPAC name is N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID2347604
Molecular FormulaC30H37N3O4S
Molecular Weight535.71 g/mol
Exact Mass535.25
IUPAC NameN-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCNC(=O)Cc3c(C)cc(C(C)(C)C)cc3C)cc2)cc1
InChIInChI=1S/C30H37N3O4S/c1-20-7-11-25(12-8-20)33-38(36,37)26-13-9-23(10-14-26)29(35)32-16-15-31-28(34)19-27-21(2)17-24(18-22(27)3)30(4,5)6/h7-14,17-18,33H,15-16,19H2,1-6H3,(H,31,34)(H,32,35)
InChIKeyMAQRUSCUMYLWSY-UHFFFAOYSA-N
XLogP4.80
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.71
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)benzamide
CID 78783684
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide
CID 2346188
4-[(4-methylphenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364351
N-methoxy-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 27745145
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861046
4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7392696
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126414861
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide (CID 2347604) is N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCNC(=O)Cc3c(C)cc(C(C)(C)C)cc3C)cc2)cc1.
What is the InChIKey of N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is MAQRUSCUMYLWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O4S/c1-20-7-11-25(12-8-20)33-38(36,37)26-13-9-23(10-14-26)29(35)32-16-15-31-28(34)19-27-21(2)17-24(18-22(27)3)30(4,5)6/h7-14,17-18,33H,15-16,19H2,1-6H3,(H,31,34)(H,32,35).
What are the key properties of N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 535.71 g/mol, XLogP of 4.80, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2347604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).