N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide

C18H22N2O3S — CID 71871009

IUPACN,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide
SMILESCN(C)C(=O)c1cccc(CCNc2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O3S/c1-20(2)18(21)15-8-6-7-14(13-15)11-12-19-16-9-4-5-10-17(16)24(3,22)23/h4-10,13,19H,11-12H2,1-3H3
InChIKeyPJRMUEYRESLCNL-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.45
Rot. Bonds6

About N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide

N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide (PubChem CID 71871009) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide
PubChem CID71871009
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide
SMILESCN(C)C(=O)c1cccc(CCNc2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O3S/c1-20(2)18(21)15-8-6-7-14(13-15)11-12-19-16-9-4-5-10-17(16)24(3,22)23/h4-10,13,19H,11-12H2,1-3H3
InChIKeyPJRMUEYRESLCNL-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide (CID 71871009) is N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide is CN(C)C(=O)c1cccc(CCNc2ccccc2S(C)(=O)=O)c1.
What is the InChIKey of N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is PJRMUEYRESLCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-20(2)18(21)15-8-6-7-14(13-15)11-12-19-16-9-4-5-10-17(16)24(3,22)23/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide?
N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(2-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 71871009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).