2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide

C18H18N2O3S — CID 30601752

IUPAC2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C
InChIInChI=1S/C18H18N2O3S/c1-4-10-19-18(21)17-12-16(9-8-14(17)3)24(22,23)20-15-7-5-6-13(2)11-15/h1,5-9,11-12,20H,10H2,2-3H3,(H,19,21)
InChIKeyUVGYITIZOAEBKQ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.47
Rot. Bonds5

About 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide

2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide (PubChem CID 30601752) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
PubChem CID30601752
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C
InChIInChI=1S/C18H18N2O3S/c1-4-10-19-18(21)17-12-16(9-8-14(17)3)24(22,23)20-15-7-5-6-13(2)11-15/h1,5-9,11-12,20H,10H2,2-3H3,(H,19,21)
InChIKeyUVGYITIZOAEBKQ-UHFFFAOYSA-N
XLogP2.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(methylamino)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119500518
N-(3-aminopropyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 119405384
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26714040
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56550990
N-(furan-2-ylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 51160479
N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 78856387
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 55350913
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 56578076
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
[2-oxo-2-(prop-2-ynylamino)ethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 9488090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide?
The IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide (CID 30601752) is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide?
The canonical SMILES for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide is C#CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C.
What is the InChIKey of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide?
The InChIKey is UVGYITIZOAEBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-4-10-19-18(21)17-12-16(9-8-14(17)3)24(22,23)20-15-7-5-6-13(2)11-15/h1,5-9,11-12,20H,10H2,2-3H3,(H,19,21).
What are the key properties of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide?
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide has a molecular weight of 342.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide is sourced from PubChem (CID 30601752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).