N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide

C20H27N3O4S — CID 35805338

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O4S/c1-22(2)18-9-5-16(6-10-18)15-23(3)20(24)17-7-11-19(12-8-17)28(25,26)21-13-14-27-4/h5-12,21H,13-15H2,1-4H3
InChIKeyQQFKZFXMVGCMLR-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.95
Rot. Bonds9

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

N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide (PubChem CID 35805338) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
PubChem CID35805338
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O4S/c1-22(2)18-9-5-16(6-10-18)15-23(3)20(24)17-7-11-19(12-8-17)28(25,26)21-13-14-27-4/h5-12,21H,13-15H2,1-4H3
InChIKeyQQFKZFXMVGCMLR-UHFFFAOYSA-N
XLogP1.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 38045289
2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
CID 119172393
4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511941
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-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-(trifluoromethylsulfonyl)benzamide
CID 35746005
N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 46446299
N-[(4-bromophenyl)methyl]-4-(2-cyanoethylsulfamoyl)-N-methylbenzamide
CID 32758145
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55620834
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide (CID 35805338) is N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide is COCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
The InChIKey is QQFKZFXMVGCMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-22(2)18-9-5-16(6-10-18)15-23(3)20(24)17-7-11-19(12-8-17)28(25,26)21-13-14-27-4/h5-12,21H,13-15H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide?
N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide has a molecular weight of 405.52 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 35805338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).