N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C18H22N2O4S — CID 41363704

IUPACN-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1
InChIInChI=1S/C18H22N2O4S/c1-13(2)20(3)25(22,23)17-10-8-14(9-11-17)18(21)19-15-6-5-7-16(12-15)24-4/h5-13H,1-4H3,(H,19,21)
InChIKeyIAQXJQLQEBCJIQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.98
Rot. Bonds6

About N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 41363704) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID41363704
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1
InChIInChI=1S/C18H22N2O4S/c1-13(2)20(3)25(22,23)17-10-8-14(9-11-17)18(21)19-15-6-5-7-16(12-15)24-4/h5-13H,1-4H3,(H,19,21)
InChIKeyIAQXJQLQEBCJIQ-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 33314267
N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide
CID 55754649
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
[2-(3-methoxyanilino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753749
N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993166
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 109060325

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 41363704) is N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is COc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is IAQXJQLQEBCJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(2)20(3)25(22,23)17-10-8-14(9-11-17)18(21)19-15-6-5-7-16(12-15)24-4/h5-13H,1-4H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 41363704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).