2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide

C17H27NO2S — CID 103725594

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)CSc1cc(C)ccc1C
InChIInChI=1S/C17H27NO2S/c1-4-5-15(8-9-19)11-18-17(20)12-21-16-10-13(2)6-7-14(16)3/h6-7,10,15,19H,4-5,8-9,11-12H2,1-3H3,(H,18,20)
InChIKeyFHRAESZZQKFWAG-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.31
Rot. Bonds9

About 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide (PubChem CID 103725594) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
PubChem CID103725594
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)CSc1cc(C)ccc1C
InChIInChI=1S/C17H27NO2S/c1-4-5-15(8-9-19)11-18-17(20)12-21-16-10-13(2)6-7-14(16)3/h6-7,10,15,19H,4-5,8-9,11-12H2,1-3H3,(H,18,20)
InChIKeyFHRAESZZQKFWAG-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide
CID 115612499
2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725645
N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617
N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103725615
(2S)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-4-hydroxybutanoic acid
CID 107822367
N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide
CID 103722758
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119508375
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
2-[[2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid
CID 43387450
2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109465
2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725476
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide (CID 103725594) is 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide is CCCC(CCO)CNC(=O)CSc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The InChIKey is FHRAESZZQKFWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-4-5-15(8-9-19)11-18-17(20)12-21-16-10-13(2)6-7-14(16)3/h6-7,10,15,19H,4-5,8-9,11-12H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide has a molecular weight of 309.47 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide is sourced from PubChem (CID 103725594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).