2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide

C19H24N2O3S — CID 75627878

IUPAC2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H24N2O3S/c1-14-10-11-18(12-15(14)2)21(25(4,23)24)13-19(22)20-16(3)17-8-6-5-7-9-17/h5-12,16H,13H2,1-4H3,(H,20,22)
InChIKeyRKZNIFNZWLGXEX-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.95
Rot. Bonds6

About 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide (PubChem CID 75627878) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
PubChem CID75627878
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H24N2O3S/c1-14-10-11-18(12-15(14)2)21(25(4,23)24)13-19(22)20-16(3)17-8-6-5-7-9-17/h5-12,16H,13H2,1-4H3,(H,20,22)
InChIKeyRKZNIFNZWLGXEX-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94016440
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 38008993
2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126126843
N-[1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896190
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 46763358
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43895333
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2285699
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897371
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2854471
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 43895867
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43895310

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide (CID 75627878) is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide is Cc1ccc(N(CC(=O)NC(C)c2ccccc2)S(C)(=O)=O)cc1C.
What is the InChIKey of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is RKZNIFNZWLGXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-10-11-18(12-15(14)2)21(25(4,23)24)13-19(22)20-16(3)17-8-6-5-7-9-17/h5-12,16H,13H2,1-4H3,(H,20,22).
What are the key properties of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide?
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 75627878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).