N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide

C19H24N2O5S — CID 33107845

IUPACN-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c1
InChIInChI=1S/C19H24N2O5S/c1-13(2)21-27(23,24)17-7-5-6-14(11-17)19(22)20-12-15-10-16(25-3)8-9-18(15)26-4/h5-11,13,21H,12H2,1-4H3,(H,20,22)
InChIKeyUGTIZVOBLWRIST-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.32
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide

N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 33107845) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID33107845
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c1
InChIInChI=1S/C19H24N2O5S/c1-13(2)21-27(23,24)17-7-5-6-14(11-17)19(22)20-12-15-10-16(25-3)8-9-18(15)26-4/h5-11,13,21H,12H2,1-4H3,(H,20,22)
InChIKeyUGTIZVOBLWRIST-UHFFFAOYSA-N
XLogP2.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 92844931
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 46590064
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063687
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657262
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55878516

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 33107845) is N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is UGTIZVOBLWRIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-13(2)21-27(23,24)17-7-5-6-14(11-17)19(22)20-12-15-10-16(25-3)8-9-18(15)26-4/h5-11,13,21H,12H2,1-4H3,(H,20,22).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 392.48 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 33107845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).