N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide

C21H28N2O4S — CID 27861724

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H28N2O4S/c1-21(2,3)17-9-11-18(12-10-17)27-14-13-22-20(24)16-7-6-8-19(15-16)28(25,26)23(4)5/h6-12,15H,13-14H2,1-5H3,(H,22,24)
InChIKeyZMXSYPVHRITPBR-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.04
Rot. Bonds7

About N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide

N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 27861724) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID27861724
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H28N2O4S/c1-21(2,3)17-9-11-18(12-10-17)27-14-13-22-20(24)16-7-6-8-19(15-16)28(25,26)23(4)5/h6-12,15H,13-14H2,1-5H3,(H,22,24)
InChIKeyZMXSYPVHRITPBR-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl-(4-methylphenyl)sulfamoyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 38448547
4-(dimethylsulfamoyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30865966
3-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 32933570
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552788
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903815
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)anilino]-3-oxopropyl]benzamide
CID 26654085
3-(dimethylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 110295892
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 43007092
2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl 4-phenylbenzoate
CID 2333167
4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide (CID 27861724) is N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is ZMXSYPVHRITPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-21(2,3)17-9-11-18(12-10-17)27-14-13-22-20(24)16-7-6-8-19(15-16)28(25,26)23(4)5/h6-12,15H,13-14H2,1-5H3,(H,22,24).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide?
N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 27861724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).