N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide

C21H28N2O4S — CID 4942085

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-5-6-9-16-27-20-11-8-7-10-19(20)21(24)22-17-12-14-18(15-13-17)28(25,26)23(2)3/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,22,24)
InChIKeyZFTUCHODICRLSE-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.15
Rot. Bonds10

About N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide

N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide (PubChem CID 4942085) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide
PubChem CID4942085
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-5-6-9-16-27-20-11-8-7-10-19(20)21(24)22-17-12-14-18(15-13-17)28(25,26)23(2)3/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,22,24)
InChIKeyZFTUCHODICRLSE-UHFFFAOYSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide
CID 4942610
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide
CID 4942095
2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 4940978
N-[4-(diethylamino)phenyl]-2-hexoxybenzamide
CID 4941952
N-[4-(dipropylsulfamoyl)phenyl]-2-propoxybenzamide
CID 4947970
5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 17350006
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
2-hexoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4942049
N-[4-(1-aminoethyl)phenyl]-2-dodecoxybenzamide
CID 139738647

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide (CID 4942085) is N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide is CCCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide?
The InChIKey is ZFTUCHODICRLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-5-6-9-16-27-20-11-8-7-10-19(20)21(24)22-17-12-14-18(15-13-17)28(25,26)23(2)3/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide has a molecular weight of 404.53 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-hexoxybenzamide is sourced from PubChem (CID 4942085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).