N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

C20H26N2O4S — CID 30262204

IUPACN-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)Nc2ccc(CC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-14-26-19-12-10-18(11-13-19)22(27(3,24)25)15-20(23)21-17-8-6-16(5-2)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyAIIDVQIZXSXBHQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.44
Rot. Bonds9

About N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (PubChem CID 30262204) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
PubChem CID30262204
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)Nc2ccc(CC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-14-26-19-12-10-18(11-13-19)22(27(3,24)25)15-20(23)21-17-8-6-16(5-2)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyAIIDVQIZXSXBHQ-UHFFFAOYSA-N
XLogP3.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 23792597
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
N-(3-chloro-4-fluorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30267320
N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30270464
ethyl 4-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1361320
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30260152
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30258326
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502302
2-(4-ethyl-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 92680973

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (CID 30262204) is N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is CCCOc1ccc(N(CC(=O)Nc2ccc(CC)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The InChIKey is AIIDVQIZXSXBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-14-26-19-12-10-18(11-13-19)22(27(3,24)25)15-20(23)21-17-8-6-16(5-2)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is sourced from PubChem (CID 30262204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).