N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide

C21H28N2O4S — CID 4945399

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCC(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-23(6-2)28(25,26)18-13-11-17(12-14-18)22-21(24)19-9-7-8-10-20(19)27-15-16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyRBGSRECWDPIVHL-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.00
Rot. Bonds9

About N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide

N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide (PubChem CID 4945399) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
PubChem CID4945399
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCC(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-23(6-2)28(25,26)18-13-11-17(12-14-18)22-21(24)19-9-7-8-10-20(19)27-15-16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyRBGSRECWDPIVHL-UHFFFAOYSA-N
XLogP4.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 4940978
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945998
N-[4-(diethylsulfamoyl)phenyl]-2-phenoxybenzamide
CID 1214319
2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4945295
N-[4-(dipropylsulfamoyl)phenyl]-2-propoxybenzamide
CID 4947970
N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945772
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945392
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide
CID 4943521
N-[4-(methylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28642656
2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 4940660
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide (CID 4945399) is N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCC(C)C)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is RBGSRECWDPIVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-23(6-2)28(25,26)18-13-11-17(12-14-18)22-21(24)19-9-7-8-10-20(19)27-15-16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,22,24).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 404.53 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4945399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).