3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide

C21H26N2O3S — CID 86879597

IUPAC3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)NCC(C)(C)c2ccccc2C)c1
InChIInChI=1S/C21H26N2O3S/c1-5-13-22-20(24)17-10-8-11-18(14-17)27(25,26)23-15-21(3,4)19-12-7-6-9-16(19)2/h5-12,14,23H,1,13,15H2,2-4H3,(H,22,24)
InChIKeyDIBLYRMJUVTFKE-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.17
Rot. Bonds8

About 3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide

3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 86879597) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID86879597
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)NCC(C)(C)c2ccccc2C)c1
InChIInChI=1S/C21H26N2O3S/c1-5-13-22-20(24)17-10-8-11-18(14-17)27(25,26)23-15-21(3,4)19-12-7-6-9-16(19)2/h5-12,14,23H,1,13,15H2,2-4H3,(H,22,24)
InChIKeyDIBLYRMJUVTFKE-UHFFFAOYSA-N
XLogP3.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062454
3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
CID 94633826
N-prop-2-enyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 109062473
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylsulfamoyl]-N-prop-2-enylbenzamide
CID 86880808
N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55879588
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062466
3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 55871543
3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide
CID 97268880
3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119756892
3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119988475

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide (CID 86879597) is 3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)NCC(C)(C)c2ccccc2C)c1.
What is the InChIKey of 3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is DIBLYRMJUVTFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-5-13-22-20(24)17-10-8-11-18(14-17)27(25,26)23-15-21(3,4)19-12-7-6-9-16(19)2/h5-12,14,23H,1,13,15H2,2-4H3,(H,22,24).
What are the key properties of 3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide?
3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 86879597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).