2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide

C13H18N2O3S — CID 18668315

IUPAC2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C13H18N2O3S/c1-9(2)13(16)14-11-5-7-12(8-6-11)19(17,18)15-10(3)4/h5-8,10,15H,1H2,2-4H3,(H,14,16)
InChIKeyBDIAAHHGCKBHBQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.89
Rot. Bonds5

About 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide

2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 18668315) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
PubChem CID18668315
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C13H18N2O3S/c1-9(2)13(16)14-11-5-7-12(8-6-11)19(17,18)15-10(3)4/h5-8,10,15H,1H2,2-4H3,(H,14,16)
InChIKeyBDIAAHHGCKBHBQ-UHFFFAOYSA-N
XLogP1.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 67951859
[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide
CID 101364771
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]but-2-enamide
CID 26715230
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 9219372
N,N'-bis[4-(propan-2-ylsulfamoyl)phenyl]nonanediamide
CID 4924725
4-(2-methylprop-2-enoylamino)benzenesulfonic acid;prop-1-ene
CID 174843507
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
2,2-diphenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1263402
2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 58611685
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide (CID 18668315) is 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide is C=C(C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is BDIAAHHGCKBHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9(2)13(16)14-11-5-7-12(8-6-11)19(17,18)15-10(3)4/h5-8,10,15H,1H2,2-4H3,(H,14,16).
What are the key properties of 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide?
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 282.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 18668315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).