N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide

C20H26N2O4S — CID 38045289

IUPACN-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-16-5-7-17(8-6-16)15-22(2)20(23)18-9-11-19(12-10-18)27(24,25)21-13-14-26-3/h5-12,21H,4,13-15H2,1-3H3
InChIKeyWDEBAUAPNZEGGQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.45
Rot. Bonds9

About N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide

N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide (PubChem CID 38045289) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
PubChem CID38045289
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-16-5-7-17(8-6-16)15-22(2)20(23)18-9-11-19(12-10-18)27(24,25)21-13-14-26-3/h5-12,21H,4,13-15H2,1-3H3
InChIKeyWDEBAUAPNZEGGQ-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.45
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-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 35805338
4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511941
2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
CID 119172393
N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24546779
4-(cyclopropylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 18195060
4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55550716
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119654430
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431
N-[(4-ethylphenyl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 38045291
N-[(4-bromophenyl)methyl]-4-(2-cyanoethylsulfamoyl)-N-methylbenzamide
CID 32758145
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
N,N-diethyl-4-[2-(2-methoxyethylamino)ethylsulfamoyl]benzamide
CID 120717557

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide (CID 38045289) is N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide is CCc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The InChIKey is WDEBAUAPNZEGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-16-5-7-17(8-6-16)15-22(2)20(23)18-9-11-19(12-10-18)27(24,25)21-13-14-26-3/h5-12,21H,4,13-15H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide has a molecular weight of 390.51 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 38045289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).