N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

C17H27NO2S — CID 103725615

IUPACN-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCCCC(CCO)CNC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C17H27NO2S/c1-3-4-15(9-10-19)11-18-17(20)13-21-12-16-7-5-14(2)6-8-16/h5-8,15,19H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeySIFCNYLGTOGKRM-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.14
Rot. Bonds10

About N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 103725615) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID103725615
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCCCC(CCO)CNC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C17H27NO2S/c1-3-4-15(9-10-19)11-18-17(20)13-21-12-16-7-5-14(2)6-8-16/h5-8,15,19H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeySIFCNYLGTOGKRM-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725476
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725594
N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 120827131
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
2-[(4-methylphenyl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726306
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103843449
3-methyl-2-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]methyl]butanoic acid
CID 65215453
4-hydroxy-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 61244020
2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725645
N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 133244562
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 110006919
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 103725615) is N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is CCCC(CCO)CNC(=O)CSCc1ccc(C)cc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is SIFCNYLGTOGKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-4-15(9-10-19)11-18-17(20)13-21-12-16-7-5-14(2)6-8-16/h5-8,15,19H,3-4,9-13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 309.47 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 103725615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).