3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide

C21H28N2O4S — CID 39731063

IUPAC3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2ccccc2C)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C21H28N2O4S/c1-15-8-6-7-9-16(15)12-13-22-20(24)17-10-11-18(27-5)19(14-17)28(25,26)23-21(2,3)4/h6-11,14,23H,12-13H2,1-5H3,(H,22,24)
InChIKeyIWRMPEMXMKWTOX-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.05
Rot. Bonds7

About 3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide

3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide (PubChem CID 39731063) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
PubChem CID39731063
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2ccccc2C)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C21H28N2O4S/c1-15-8-6-7-9-16(15)12-13-22-20(24)17-10-11-18(27-5)19(14-17)28(25,26)23-21(2,3)4/h6-11,14,23H,12-13H2,1-5H3,(H,22,24)
InChIKeyIWRMPEMXMKWTOX-UHFFFAOYSA-N
XLogP3.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177
3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 37485901
2-(2-methylphenoxy)ethyl 3-(tert-butylsulfamoyl)-4-methoxybenzoate
CID 55473339
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 55398336
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837936
N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
CID 55577278
3-(tert-butylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 55861150
N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 27693844
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55396010
3-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 46591114
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide (CID 39731063) is 3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide is COc1ccc(C(=O)NCCc2ccccc2C)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide?
The InChIKey is IWRMPEMXMKWTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15-8-6-7-9-16(15)12-13-22-20(24)17-10-11-18(27-5)19(14-17)28(25,26)23-21(2,3)4/h6-11,14,23H,12-13H2,1-5H3,(H,22,24).
What are the key properties of 3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide?
3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 39731063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).