N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide

C20H24ClN3O4S — CID 46550803

IUPACN-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(NC(C)=O)c(C)c2)c1
InChIInChI=1S/C20H24ClN3O4S/c1-5-24(6-2)29(27,28)16-8-9-18(21)17(12-16)20(26)23-15-7-10-19(13(3)11-15)22-14(4)25/h7-12H,5-6H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyBLMASKYVGUNEQS-UHFFFAOYSA-N
MW437.95 g/mol
LogP3.89
Rot. Bonds7

About N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide

N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide (PubChem CID 46550803) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
PubChem CID46550803
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC NameN-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(NC(C)=O)c(C)c2)c1
InChIInChI=1S/C20H24ClN3O4S/c1-5-24(6-2)29(27,28)16-8-9-18(21)17(12-16)20(26)23-15-7-10-19(13(3)11-15)22-14(4)25/h7-12H,5-6H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyBLMASKYVGUNEQS-UHFFFAOYSA-N
XLogP3.89
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 56518335
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 60552239
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
2-chloro-5-(diethylsulfamoyl)-N-(8-methylquinolin-5-yl)benzamide
CID 38276554
2-chloro-5-(diethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280403
5-(diethylsulfamoyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 7733082
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide (CID 46550803) is N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(NC(C)=O)c(C)c2)c1.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide?
The InChIKey is BLMASKYVGUNEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-5-24(6-2)29(27,28)16-8-9-18(21)17(12-16)20(26)23-15-7-10-19(13(3)11-15)22-14(4)25/h7-12H,5-6H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide?
N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide has a molecular weight of 437.95 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 46550803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).