N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide

C21H28N2O4S — CID 8615900

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(COC(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-23(6-2)28(25,26)20-13-11-19(12-14-20)22-21(24)18-9-7-17(8-10-18)15-27-16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyYTJBPXKTTXZSQM-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.89
Rot. Bonds9

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

N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide (PubChem CID 8615900) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide
PubChem CID8615900
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(COC(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-23(6-2)28(25,26)20-13-11-19(12-14-20)22-21(24)18-9-7-17(8-10-18)15-27-16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)
InChIKeyYTJBPXKTTXZSQM-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38402732
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071
N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41468608
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17308419
N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1295864

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide (CID 8615900) is N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(COC(C)C)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is YTJBPXKTTXZSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-23(6-2)28(25,26)20-13-11-19(12-14-20)22-21(24)18-9-7-17(8-10-18)15-27-16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,22,24).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide?
N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.89, 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]-4-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 8615900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).