4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide

C18H22N2O4S — CID 53287155

IUPAC4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide
SMILESCCOc1ccccc1N(Cc1ccc(C(=O)NC)cc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-8-6-5-7-16(17)20(25(3,22)23)13-14-9-11-15(12-10-14)18(21)19-2/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyHAHQELGSINIXEE-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.41
Rot. Bonds7

About 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide

4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide (PubChem CID 53287155) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide
PubChem CID53287155
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide
SMILESCCOc1ccccc1N(Cc1ccc(C(=O)NC)cc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-8-6-5-7-16(17)20(25(3,22)23)13-14-9-11-15(12-10-14)18(21)19-2/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyHAHQELGSINIXEE-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-propan-2-ylbenzamide
CID 53287187
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53287191
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100571657
N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287447
N-(2-bicyclo[2.2.1]heptanyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287255
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287290
N-(2-ethoxyphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide
CID 53287514
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 125078810
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53287986
2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
CID 1107753
2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 30168858
4-[(N-methylsulfonyl-2-phenoxyanilino)methyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 100503717

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide (CID 53287155) is 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide is CCOc1ccccc1N(Cc1ccc(C(=O)NC)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide?
The InChIKey is HAHQELGSINIXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-17-8-6-5-7-16(17)20(25(3,22)23)13-14-9-11-15(12-10-14)18(21)19-2/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide?
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-methylbenzamide is sourced from PubChem (CID 53287155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).