2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide

C19H23NO3S — CID 95778372

IUPAC2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)c1
InChIInChI=1S/C19H23NO3S/c1-14-9-10-15(2)18(11-14)23-12-19(21)20-17(13-24(3)22)16-7-5-4-6-8-16/h4-11,17H,12-13H2,1-3H3,(H,20,21)/t17-,24+/m0/s1
InChIKeyUNSPAHSRBLTYJX-BXKMTCNYSA-N
MW345.46 g/mol
LogP2.92
Rot. Bonds7

About 2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide

2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide (PubChem CID 95778372) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
PubChem CID95778372
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)c1
InChIInChI=1S/C19H23NO3S/c1-14-9-10-15(2)18(11-14)23-12-19(21)20-17(13-24(3)22)16-7-5-4-6-8-16/h4-11,17H,12-13H2,1-3H3,(H,20,21)/t17-,24+/m0/s1
InChIKeyUNSPAHSRBLTYJX-BXKMTCNYSA-N
XLogP2.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461286
2-(2,5-dimethylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43909084
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
N'-[2-(2,5-dimethylphenoxy)acetyl]-3,3-diphenylpropanehydrazide
CID 7943424
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]propanoic acid
CID 7044999
(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157150
2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031567
ethyl 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 43877584
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471
2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide
CID 95328309
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133251910

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide (CID 95778372) is 2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide is Cc1ccc(C)c(OCC(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide?
The InChIKey is UNSPAHSRBLTYJX-BXKMTCNYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-9-10-15(2)18(11-14)23-12-19(21)20-17(13-24(3)22)16-7-5-4-6-8-16/h4-11,17H,12-13H2,1-3H3,(H,20,21)/t17-,24+/m0/s1.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide is sourced from PubChem (CID 95778372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).