4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide

C18H22N2O4S — CID 40742114

IUPAC4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H22N2O4S/c1-12(2)20-25(22,23)17-11-14(9-10-16(17)24-4)18(21)19-15-8-6-5-7-13(15)3/h5-12,20H,1-4H3,(H,19,21)
InChIKeySTJAYYISLCVMNH-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.94
Rot. Bonds6

About 4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide

4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 40742114) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID40742114
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H22N2O4S/c1-12(2)20-25(22,23)17-11-14(9-10-16(17)24-4)18(21)19-15-8-6-5-7-13(15)3/h5-12,20H,1-4H3,(H,19,21)
InChIKeySTJAYYISLCVMNH-UHFFFAOYSA-N
XLogP2.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55888443
methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate
CID 56543378
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366
4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373523
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 51161410
N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373539

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 40742114) is 4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)Nc2ccccc2C)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is STJAYYISLCVMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12(2)20-25(22,23)17-11-14(9-10-16(17)24-4)18(21)19-15-8-6-5-7-13(15)3/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of 4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 40742114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).