2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide

C18H21NO3S — CID 95328309

IUPAC2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NCC[S@](=O)c2ccccc2)c1
InChIInChI=1S/C18H21NO3S/c1-14-8-9-15(2)17(12-14)22-13-18(20)19-10-11-23(21)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)/t23-/m0/s1
InChIKeyHPIFQDMMEWHGSH-QHCPKHFHSA-N
MW331.44 g/mol
LogP2.61
Rot. Bonds7

About 2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide

2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide (PubChem CID 95328309) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide
PubChem CID95328309
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NCC[S@](=O)c2ccccc2)c1
InChIInChI=1S/C18H21NO3S/c1-14-8-9-15(2)17(12-14)22-13-18(20)19-10-11-23(21)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)/t23-/m0/s1
InChIKeyHPIFQDMMEWHGSH-QHCPKHFHSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119497986
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 163329160
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 66168097
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368937
2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
CID 95778372
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
N'-[2-(2,5-dimethylphenoxy)acetyl]-3,3-diphenylpropanehydrazide
CID 7943424
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
2-(2,5-dimethylphenoxy)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065540

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide (CID 95328309) is 2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide is Cc1ccc(C)c(OCC(=O)NCC[S@](=O)c2ccccc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide?
The InChIKey is HPIFQDMMEWHGSH-QHCPKHFHSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14-8-9-15(2)17(12-14)22-13-18(20)19-10-11-23(21)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)/t23-/m0/s1.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[2-[(S)-phenylsulfinyl]ethyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.61, 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-[2-[(S)-phenylsulfinyl]ethyl]acetamide is sourced from PubChem (CID 95328309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).