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

C18H22N2O6S2 — CID 16594690

IUPAC4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H22N2O6S2/c1-12(2)20-28(24,25)17-11-13(5-10-16(17)26-3)18(21)19-14-6-8-15(9-7-14)27(4,22)23/h5-12,20H,1-4H3,(H,19,21)
InChIKeyUFCGEXMLZNVVLG-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.04
Rot. Bonds7

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

4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 16594690) has the molecular formula C18H22N2O6S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID16594690
Molecular FormulaC18H22N2O6S2
Molecular Weight426.52 g/mol
Exact Mass426.09
IUPAC Name4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C18H22N2O6S2/c1-12(2)20-28(24,25)17-11-13(5-10-16(17)26-3)18(21)19-14-6-8-15(9-7-14)27(4,22)23/h5-12,20H,1-4H3,(H,19,21)
InChIKeyUFCGEXMLZNVVLG-UHFFFAOYSA-N
XLogP2.04
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366
N-(4-butylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373539
4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373523
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
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
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
N-(9-ethylcarbazol-3-yl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 24538264
4-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 24610746
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 16594690) is 4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is UFCGEXMLZNVVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S2/c1-12(2)20-28(24,25)17-11-13(5-10-16(17)26-3)18(21)19-14-6-8-15(9-7-14)27(4,22)23/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of 4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide?
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 426.52 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 16594690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).