4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C21H28N2O4S — CID 55588840

IUPAC4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)27-18-10-6-16(7-11-18)14-22-20(24)17-8-12-19(13-9-17)28(25,26)23-21(3,4)5/h6-13,15,23H,14H2,1-5H3,(H,22,24)
InChIKeyGRYOEZOWVKATRC-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.48
Rot. Bonds7

About 4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 55588840) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID55588840
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)27-18-10-6-16(7-11-18)14-22-20(24)17-8-12-19(13-9-17)28(25,26)23-21(3,4)5/h6-13,15,23H,14H2,1-5H3,(H,22,24)
InChIKeyGRYOEZOWVKATRC-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952231
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide
CID 60621590
4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575991
4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911086
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide
CID 39389642
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
N-benzyl-4-(1-phenylethylsulfamoyl)benzamide
CID 109060541

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 55588840) is 4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is CC(C)Oc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is GRYOEZOWVKATRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15(2)27-18-10-6-16(7-11-18)14-22-20(24)17-8-12-19(13-9-17)28(25,26)23-21(3,4)5/h6-13,15,23H,14H2,1-5H3,(H,22,24).
What are the key properties of 4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 55588840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).