4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide

C21H28N2O5S — CID 55888443

IUPAC4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OCC(C)C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C21H28N2O5S/c1-14(2)13-28-18-9-7-6-8-17(18)22-21(24)16-10-11-19(27-5)20(12-16)29(25,26)23-15(3)4/h6-12,14-15,23H,13H2,1-5H3,(H,22,24)
InChIKeyLSJGKPCFFUWJBU-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.67
Rot. Bonds9

About 4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide

4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55888443) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID55888443
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OCC(C)C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C21H28N2O5S/c1-14(2)13-28-18-9-7-6-8-17(18)22-21(24)16-10-11-19(27-5)20(12-16)29(25,26)23-15(3)4/h6-12,14-15,23H,13H2,1-5H3,(H,22,24)
InChIKeyLSJGKPCFFUWJBU-UHFFFAOYSA-N
XLogP3.67
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
methyl 2-hydroxy-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]benzoate
CID 56543378
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55887161
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127
3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55991701
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
4-(ethylsulfamoyl)-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55990432
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 60927264
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
N-(3-amino-4-methoxyphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119419366

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 55888443) is 4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)Nc2ccccc2OCC(C)C)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is LSJGKPCFFUWJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-14(2)13-28-18-9-7-6-8-17(18)22-21(24)16-10-11-19(27-5)20(12-16)29(25,26)23-15(3)4/h6-12,14-15,23H,13H2,1-5H3,(H,22,24).
What are the key properties of 4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 420.53 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55888443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).