4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide

C20H25N3O5S — CID 56512067

IUPAC4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NOC)cc1
InChIInChI=1S/C20H25N3O5S/c1-5-23(14-15-6-8-16(9-7-15)19(24)22(2)3)20(25)17-10-12-18(13-11-17)29(26,27)21-28-4/h6-13,21H,5,14H2,1-4H3
InChIKeyAHDDDJKKSXBNNF-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.89
Rot. Bonds8

About 4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide

4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 56512067) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID56512067
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NOC)cc1
InChIInChI=1S/C20H25N3O5S/c1-5-23(14-15-6-8-16(9-7-15)19(24)22(2)3)20(25)17-10-12-18(13-11-17)29(26,27)21-28-4/h6-13,21H,5,14H2,1-4H3
InChIKeyAHDDDJKKSXBNNF-UHFFFAOYSA-N
XLogP1.89
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-(methoxysulfamoyl)benzamide
CID 47051185
4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511941
4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512454
4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 56511790
N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
CID 8820023
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 56511666
4-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 98388271
5-(tert-butylsulfamoyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylfuran-2-carboxamide
CID 56512421
4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
CID 56512309
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide
CID 95341841
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18115747

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide (CID 56512067) is 4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NOC)cc1.
What is the InChIKey of 4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is AHDDDJKKSXBNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-5-23(14-15-6-8-16(9-7-15)19(24)22(2)3)20(25)17-10-12-18(13-11-17)29(26,27)21-28-4/h6-13,21H,5,14H2,1-4H3.
What are the key properties of 4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide?
4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 419.50 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56512067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).