N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide

C24H24N2O2S — CID 25161619

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-18-13-15-20(16-14-18)25-22(27)17-26(2)24(28)23(19-9-5-3-6-10-19)29-21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3,(H,25,27)
InChIKeyDTYSSMCNKZHZNU-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.93
Rot. Bonds7

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 25161619) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID25161619
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-18-13-15-20(16-14-18)25-22(27)17-26(2)24(28)23(19-9-5-3-6-10-19)29-21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3,(H,25,27)
InChIKeyDTYSSMCNKZHZNU-UHFFFAOYSA-N
XLogP4.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Thiazesim Hydrochloride
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3-{[4-(methylsulfanyl)phenyl]amino}-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
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CID 954269
4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
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N-benzyl-2-(3-methylsulfanylanilino)propanamide
CID 4882997
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
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1-Phenyl-4-[phenyl(phenylsulfanyl)acetyl]piperazine
CID 2886289
N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 3202856

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide (CID 25161619) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide is Cc1ccc(NC(=O)CN(C)C(=O)C(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is DTYSSMCNKZHZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-18-13-15-20(16-14-18)25-22(27)17-26(2)24(28)23(19-9-5-3-6-10-19)29-21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3,(H,25,27).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 404.54 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 25161619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).