2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide

C17H19NO2S — CID 96551003

IUPAC2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1cccc(C[S@](C)=O)c1
InChIInChI=1S/C17H19NO2S/c1-13-6-3-4-8-15(13)11-17(19)18-16-9-5-7-14(10-16)12-21(2)20/h3-10H,11-12H2,1-2H3,(H,18,19)/t21-/m0/s1
InChIKeyPWAAZJPKSJFXMX-NRFANRHFSA-N
MW301.41 g/mol
LogP3.05
Rot. Bonds5

About 2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide

2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide (PubChem CID 96551003) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
PubChem CID96551003
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1cccc(C[S@](C)=O)c1
InChIInChI=1S/C17H19NO2S/c1-13-6-3-4-8-15(13)11-17(19)18-16-9-5-7-14(10-16)12-21(2)20/h3-10H,11-12H2,1-2H3,(H,18,19)/t21-/m0/s1
InChIKeyPWAAZJPKSJFXMX-NRFANRHFSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 113270900
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
2,2-dimethyl-N-[3-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 26163504
2-[2-[3-[[(S)-methylsulfinyl]methyl]anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 99774176
N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
CID 62365496
tert-butyl N-[3-(methylsulfinylmethyl)phenyl]carbamate
CID 169088988
3-amino-2-methyl-N-[3-(methylsulfinylmethyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119790386
N-[3-(ethylaminomethyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 119438044
2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide
CID 16785552
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 27843051
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 9108470

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide (CID 96551003) is 2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide is Cc1ccccc1CC(=O)Nc1cccc(C[S@](C)=O)c1.
What is the InChIKey of 2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide?
The InChIKey is PWAAZJPKSJFXMX-NRFANRHFSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-6-3-4-8-15(13)11-17(19)18-16-9-5-7-14(10-16)12-21(2)20/h3-10H,11-12H2,1-2H3,(H,18,19)/t21-/m0/s1.
What are the key properties of 2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide?
2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide is sourced from PubChem (CID 96551003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).