ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide

C20H32N2O3S — CID 144655985

IUPACethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide
SMILESCC.CC.Cc1cccc(C(N)=O)c1.Cc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C8H11NO2S.C8H9NO.2C2H6/c1-7-5-3-4-6-8(7)9-12(2,10)11;1-6-3-2-4-7(5-6)8(9)10;2*1-2/h3-6,9H,1-2H3;2-5H,1H3,(H2,9,10);2*1-2H3
InChIKeyWXABFWXTJAWRTI-UHFFFAOYSA-N
MW380.55 g/mol
LogP4.51
Rot. Bonds3

About ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide

ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide (PubChem CID 144655985) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Nameethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide
PubChem CID144655985
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Nameethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide
SMILESCC.CC.Cc1cccc(C(N)=O)c1.Cc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C8H11NO2S.C8H9NO.2C2H6/c1-7-5-3-4-6-8(7)9-12(2,10)11;1-6-3-2-4-7(5-6)8(9)10;2*1-2/h3-6,9H,1-2H3;2-5H,1H3,(H2,9,10);2*1-2H3
InChIKeyWXABFWXTJAWRTI-UHFFFAOYSA-N
XLogP4.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 144862945
ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
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3-methylbenzamide;2-methylpropane
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3-methyl-N-methylsulfonylbenzamide
CID 18331681
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
3-[[4-[5-(methanesulfonamido)-2-methylanilino]pyrimidin-2-yl]amino]benzamide
CID 25138027
2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline
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3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide (CID 144655985) is ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide is CC.CC.Cc1cccc(C(N)=O)c1.Cc1ccccc1NS(C)(=O)=O.
What is the InChIKey of ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide?
The InChIKey is WXABFWXTJAWRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.C8H9NO.2C2H6/c1-7-5-3-4-6-8(7)9-12(2,10)11;1-6-3-2-4-7(5-6)8(9)10;2*1-2/h3-6,9H,1-2H3;2-5H,1H3,(H2,9,10);2*1-2H3.
What are the key properties of ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide?
ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide has a molecular weight of 380.55 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 144655985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).