N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide

C16H25NO2S — CID 111119954

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide
SMILESCc1ccccc1C(O)CNC(=O)CSCCC(C)C
InChIInChI=1S/C16H25NO2S/c1-12(2)8-9-20-11-16(19)17-10-15(18)14-7-5-4-6-13(14)3/h4-7,12,15,18H,8-11H2,1-3H3,(H,17,19)
InChIKeyHBCQKXFKXCPTJI-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.92
Rot. Bonds8

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide (PubChem CID 111119954) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide
PubChem CID111119954
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide
SMILESCc1ccccc1C(O)CNC(=O)CSCCC(C)C
InChIInChI=1S/C16H25NO2S/c1-12(2)8-9-20-11-16(19)17-10-15(18)14-7-5-4-6-13(14)3/h4-7,12,15,18H,8-11H2,1-3H3,(H,17,19)
InChIKeyHBCQKXFKXCPTJI-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-(4-ethylsulfanylbutan-2-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111483088
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 111119811
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide
CID 103771004
(2R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-2-methyl-3-methylsulfanylpropanamide
CID 96530841
N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 111120128
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide
CID 97072671
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
(2S)-2-amino-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119324131

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide (CID 111119954) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide is Cc1ccccc1C(O)CNC(=O)CSCCC(C)C.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide?
The InChIKey is HBCQKXFKXCPTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12(2)8-9-20-11-16(19)17-10-15(18)14-7-5-4-6-13(14)3/h4-7,12,15,18H,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide has a molecular weight of 295.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide is sourced from PubChem (CID 111119954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).