N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

C17H20N2O4S — CID 30255339

IUPACN-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCCNC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-3-18-17(20)13-19(24(2,21)22)15-11-7-8-12-16(15)23-14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeyCCNXRBUFXGAOIC-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.38
Rot. Bonds7

About N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (PubChem CID 30255339) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
PubChem CID30255339
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCCNC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-3-18-17(20)13-19(24(2,21)22)15-11-7-8-12-16(15)23-14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeyCCNXRBUFXGAOIC-UHFFFAOYSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30271957
N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30265676
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30262141
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 100608249
N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43899457
N-[2-(4-methylphenyl)sulfanylethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30263050
2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide
CID 30276893
2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide
CID 30271434
N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30268858
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30275443
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
N-[1-(3,4-dimethylphenyl)propyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43901691

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The IUPAC name of N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (CID 30255339) is N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.
What is the SMILES notation for N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The canonical SMILES for N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is CCNC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The InChIKey is CCNXRBUFXGAOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-18-17(20)13-19(24(2,21)22)15-11-7-8-12-16(15)23-14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3,(H,18,20).
What are the key properties of N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is sourced from PubChem (CID 30255339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).