2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide

C19H24N2O3S — CID 22303955

IUPAC2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCc1cc(NCC(=O)NC(C)c2ccccc2)c(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-13-10-17(14(2)18(11-13)25(4,23)24)20-12-19(22)21-15(3)16-8-6-5-7-9-16/h5-11,15,20H,12H2,1-4H3,(H,21,22)
InChIKeyDRDLYHHJHMHNCE-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.00
Rot. Bonds6

About 2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide

2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide (PubChem CID 22303955) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
PubChem CID22303955
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCc1cc(NCC(=O)NC(C)c2ccccc2)c(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-13-10-17(14(2)18(11-13)25(4,23)24)20-12-19(22)21-15(3)16-8-6-5-7-9-16/h5-11,15,20H,12H2,1-4H3,(H,21,22)
InChIKeyDRDLYHHJHMHNCE-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54812168
2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9080783
2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide
CID 110438351
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 112992365
2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide
CID 22304214
2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95278200
2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9099533
ethyl 2-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
CID 108997359
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95253523

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide (CID 22303955) is 2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide is Cc1cc(NCC(=O)NC(C)c2ccccc2)c(C)c(S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is DRDLYHHJHMHNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-10-17(14(2)18(11-13)25(4,23)24)20-12-19(22)21-15(3)16-8-6-5-7-9-16/h5-11,15,20H,12H2,1-4H3,(H,21,22).
What are the key properties of 2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 22303955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).