N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

C18H21ClN2O4S — CID 46674398

IUPACN-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-12-5-7-15(26(23,24)20-8-9-25-3)11-16(12)18(22)21-14-6-4-13(2)17(19)10-14/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyVQTDVXXBDJZPOQ-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.13
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (PubChem CID 46674398) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
PubChem CID46674398
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-12-5-7-15(26(23,24)20-8-9-25-3)11-16(12)18(22)21-14-6-4-13(2)17(19)10-14/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyVQTDVXXBDJZPOQ-UHFFFAOYSA-N
XLogP3.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55993465
N-(2-hydroxy-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46652713
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 46651612
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 60607198
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
N-(3-chloro-4-methylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968879
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (CID 46674398) is N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The InChIKey is VQTDVXXBDJZPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-12-5-7-15(26(23,24)20-8-9-25-3)11-16(12)18(22)21-14-6-4-13(2)17(19)10-14/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide has a molecular weight of 396.90 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 46674398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).