4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide

C12H16N2O3S — CID 41468209

IUPAC4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C12H16N2O3S/c1-4-7-13-12(15)10-5-6-11(9(2)8-10)14-18(3,16)17/h4-6,8,14H,1,7H2,2-3H3,(H,13,15)
InChIKeyHQNNEAMMUGFCPV-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.28
Rot. Bonds5

About 4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide

4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide (PubChem CID 41468209) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide
PubChem CID41468209
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C12H16N2O3S/c1-4-7-13-12(15)10-5-6-11(9(2)8-10)14-18(3,16)17/h4-6,8,14H,1,7H2,2-3H3,(H,13,15)
InChIKeyHQNNEAMMUGFCPV-UHFFFAOYSA-N
XLogP1.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.28
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

4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100566256
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062454
N-[4-(cyanomethyl)phenyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 19062669
4-(methylsulfonylmethyl)-N-prop-2-enylbenzamide
CID 9442194
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
CID 63210748
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
CID 35154636
4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 63211458
N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
CID 19062672
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide (CID 41468209) is 4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NS(C)(=O)=O)c(C)c1.
What is the InChIKey of 4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide?
The InChIKey is HQNNEAMMUGFCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-4-7-13-12(15)10-5-6-11(9(2)8-10)14-18(3,16)17/h4-6,8,14H,1,7H2,2-3H3,(H,13,15).
What are the key properties of 4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide?
4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 41468209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).