N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide

C20H19Cl2N3O4S — CID 166323163

IUPACN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C20H19Cl2N3O4S/c1-3-25(12-14-7-8-17(21)18(22)10-14)20(26)15-5-4-6-16(11-15)30(27,28)24-19-9-13(2)29-23-19/h4-11H,3,12H2,1-2H3,(H,23,24)
InChIKeyWWQMHVIHLXTHBC-UHFFFAOYSA-N
MW468.36 g/mol
LogP4.75
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide (PubChem CID 166323163) has the molecular formula C20H19Cl2N3O4S and a molecular weight of 468.36 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
PubChem CID166323163
Molecular FormulaC20H19Cl2N3O4S
Molecular Weight468.36 g/mol
Exact Mass467.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C20H19Cl2N3O4S/c1-3-25(12-14-7-8-17(21)18(22)10-14)20(26)15-5-4-6-16(11-15)30(27,28)24-19-9-13(2)29-23-19/h4-11H,3,12H2,1-2H3,(H,23,24)
InChIKeyWWQMHVIHLXTHBC-UHFFFAOYSA-N
XLogP4.75
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]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

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(propan-2-ylsulfamoyl)benzamide
CID 55915255
methyl 3-[(3,4-dichlorophenyl)methyl-ethylcarbamoyl]benzoate
CID 55915257
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
CID 39157474
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
CID 100623214
N-benzyl-N-methyl-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109060736
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 26583597
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 109064428
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)benzamide
CID 56553596
N,N-diethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 109065077
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 27257413

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide (CID 166323163) is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide?
The InChIKey is WWQMHVIHLXTHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4S/c1-3-25(12-14-7-8-17(21)18(22)10-14)20(26)15-5-4-6-16(11-15)30(27,28)24-19-9-13(2)29-23-19/h4-11H,3,12H2,1-2H3,(H,23,24).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide?
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide has a molecular weight of 468.36 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 166323163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).