N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide

C16H18N2O4S — CID 30796988

IUPACN-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCONC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C
InChIInChI=1S/C16H18N2O4S/c1-11-5-4-6-13(9-11)18-23(20,21)14-8-7-12(2)15(10-14)16(19)17-22-3/h4-10,18H,1-3H3,(H,17,19)
InChIKeyPFDOBIFJIUOULJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.40
Rot. Bonds5

About N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide

N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 30796988) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID30796988
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCONC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C
InChIInChI=1S/C16H18N2O4S/c1-11-5-4-6-13(9-11)18-23(20,21)14-8-7-12(2)15(10-14)16(19)17-22-3/h4-10,18H,1-3H3,(H,17,19)
InChIKeyPFDOBIFJIUOULJ-UHFFFAOYSA-N
XLogP2.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 119405384
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
CID 30601752
N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 78856387
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26714040
propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56550990
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
N-(furan-2-ylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 51160479
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 2631471
[2-(butan-2-ylamino)-2-oxoethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 42968167
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide (CID 30796988) is N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide is CONC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C.
What is the InChIKey of N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is PFDOBIFJIUOULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-11-5-4-6-13(9-11)18-23(20,21)14-8-7-12(2)15(10-14)16(19)17-22-3/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide?
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 334.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 30796988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).