2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide

C18H20N2O4S — CID 6457389

IUPAC2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C18H20N2O4S/c1-4-12-24-15-9-7-8-14(13-15)19-18(21)16-10-5-6-11-17(16)20(2)25(3,22)23/h4-11,13H,1,12H2,2-3H3,(H,19,21)
InChIKeyCIZVLSHJVMLUCS-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.90
Rot. Bonds7

About 2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide

2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 6457389) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID6457389
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1
InChIInChI=1S/C18H20N2O4S/c1-4-12-24-15-9-7-8-14(13-15)19-18(21)16-10-5-6-11-17(16)20(2)25(3,22)23/h4-11,13H,1,12H2,2-3H3,(H,19,21)
InChIKeyCIZVLSHJVMLUCS-UHFFFAOYSA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide
CID 6461638
N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide
CID 17086740
4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135
2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086733
2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086764
1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea
CID 60577561
4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide
CID 47071098
2-benzylsulfanyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 19062837
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
2-methyl-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17086820
4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 49027316
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide (CID 6457389) is 2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is CIZVLSHJVMLUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-4-12-24-15-9-7-8-14(13-15)19-18(21)16-10-5-6-11-17(16)20(2)25(3,22)23/h4-11,13H,1,12H2,2-3H3,(H,19,21).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide?
2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 6457389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).