2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide

C16H25NO2S — CID 103725476

IUPAC2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)CSCc1ccccc1
InChIInChI=1S/C16H25NO2S/c1-2-6-14(9-10-18)11-17-16(19)13-20-12-15-7-4-3-5-8-15/h3-5,7-8,14,18H,2,6,9-13H2,1H3,(H,17,19)
InChIKeyDHDWFVNTTXVXBP-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.83
Rot. Bonds10

About 2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide

2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide (PubChem CID 103725476) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
PubChem CID103725476
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)CSCc1ccccc1
InChIInChI=1S/C16H25NO2S/c1-2-6-14(9-10-18)11-17-16(19)13-20-12-15-7-4-3-5-8-15/h3-5,7-8,14,18H,2,6,9-13H2,1H3,(H,17,19)
InChIKeyDHDWFVNTTXVXBP-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103725615
N-[2-(2-hydroxyethyl)pentyl]-3-phenylpropanamide
CID 103722786
2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725645
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
(2R)-2-[(2-benzylsulfanylacetyl)amino]pentanoic acid
CID 93252347
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide
CID 9289997
2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 113248427
N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 133244562
2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
CID 95986621
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725594
N-[2-(2-hydroxyethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 103722794

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide (CID 103725476) is 2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide is CCCC(CCO)CNC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The InChIKey is DHDWFVNTTXVXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-2-6-14(9-10-18)11-17-16(19)13-20-12-15-7-4-3-5-8-15/h3-5,7-8,14,18H,2,6,9-13H2,1H3,(H,17,19).
What are the key properties of 2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide has a molecular weight of 295.45 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide is sourced from PubChem (CID 103725476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).