3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide

C18H22N2O5S — CID 46520822

IUPAC3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)ccc1OC(C)C
InChIInChI=1S/C18H22N2O5S/c1-11(2)25-15-8-6-13(9-16(15)24-4)18(21)20-14-7-5-12(3)17(10-14)26(19,22)23/h5-11H,1-4H3,(H,20,21)(H2,19,22,23)
InChIKeyLXYDTMUIWCWJRR-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.69
Rot. Bonds6

About 3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide

3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide (PubChem CID 46520822) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide
PubChem CID46520822
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)ccc1OC(C)C
InChIInChI=1S/C18H22N2O5S/c1-11(2)25-15-8-6-13(9-16(15)24-4)18(21)20-14-7-5-12(3)17(10-14)26(19,22)23/h5-11H,1-4H3,(H,20,21)(H2,19,22,23)
InChIKeyLXYDTMUIWCWJRR-UHFFFAOYSA-N
XLogP2.69
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-4-methyl-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 39764163
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
2-methoxy-5-methyl-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 9257170
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51159004
N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 120568157
4-(difluoromethoxy)-3-methoxy-N-(4-sulfamoylphenyl)benzamide
CID 9314405
4-(difluoromethoxy)-3-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26644330
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
4-chloro-N-(3,4-dimethoxyphenyl)-3-sulfamoylbenzamide
CID 26695102
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide (CID 46520822) is 3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide is COc1cc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide?
The InChIKey is LXYDTMUIWCWJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-11(2)25-15-8-6-13(9-16(15)24-4)18(21)20-14-7-5-12(3)17(10-14)26(19,22)23/h5-11H,1-4H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide?
3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide has a molecular weight of 378.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 46520822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).