N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide

C14H20N2O3S — CID 816090

IUPACN-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(C)c(N(CC(=O)NC2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-10-4-5-11(2)13(8-10)16(20(3,18)19)9-14(17)15-12-6-7-12/h4-5,8,12H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyWRIHFWPLHKOTGR-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.35
Rot. Bonds5

About N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide

N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 816090) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID816090
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(C)c(N(CC(=O)NC2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O3S/c1-10-4-5-11(2)13(8-10)16(20(3,18)19)9-14(17)15-12-6-7-12/h4-5,8,12H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyWRIHFWPLHKOTGR-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 24776179
N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1322609
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281968
N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142007
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100563133
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 30218964
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895274
N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 8816801
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1208576

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide (CID 816090) is N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide is Cc1ccc(C)c(N(CC(=O)NC2CC2)S(C)(=O)=O)c1.
What is the InChIKey of N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is WRIHFWPLHKOTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-4-5-11(2)13(8-10)16(20(3,18)19)9-14(17)15-12-6-7-12/h4-5,8,12H,6-7,9H2,1-3H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 816090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).