2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide

C18H22N2O4S — CID 30257958

IUPAC2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILESCCOc1cccc(N(CC(=O)Nc2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-10-6-9-16(12-17)20(25(3,22)23)13-18(21)19-15-8-5-7-14(2)11-15/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyFIBOJTZHAGVPNI-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.80
Rot. Bonds7

About 2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide

2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide (PubChem CID 30257958) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
PubChem CID30257958
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILESCCOc1cccc(N(CC(=O)Nc2cccc(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-10-6-9-16(12-17)20(25(3,22)23)13-18(21)19-15-8-5-7-14(2)11-15/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyFIBOJTZHAGVPNI-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 30272698
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
N-(2,6-dimethylphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30258396
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343143
4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30272647
2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
CID 30271635
3-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144896
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
N-(2,3-dichlorophenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30270996
2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 1326606
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100531798
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30171593

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide (CID 30257958) is 2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide is CCOc1cccc(N(CC(=O)Nc2cccc(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is FIBOJTZHAGVPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-17-10-6-9-16(12-17)20(25(3,22)23)13-18(21)19-15-8-5-7-14(2)11-15/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of 2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 30257958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).