N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide

C16H25NO2S — CID 111542622

IUPACN-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCC(CO)CSCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H25NO2S/c1-12(9-18)10-20-11-15(19)17-14-8-6-5-7-13(14)16(2,3)4/h5-8,12,18H,9-11H2,1-4H3,(H,17,19)
InChIKeyFPZVXBGHOOWCPN-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.28
Rot. Bonds6

About N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide

N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (PubChem CID 111542622) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
PubChem CID111542622
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCC(CO)CSCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H25NO2S/c1-12(9-18)10-20-11-15(19)17-14-8-6-5-7-13(14)16(2,3)4/h5-8,12,18H,9-11H2,1-4H3,(H,17,19)
InChIKeyFPZVXBGHOOWCPN-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 66103390
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
N-(2-ethoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102705
2-[2-(2-tert-butylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 18083809
N-(2,4-dichlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 111542477
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933
3-(2-tert-butylanilino)-2-methylpropan-1-ol
CID 115871945
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66104647
N-(4-chloro-2-fluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66103783
N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973
2-(3-amino-2-methylpropyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 66226971
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105148

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (CID 111542622) is N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is CC(CO)CSCC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The InChIKey is FPZVXBGHOOWCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12(9-18)10-20-11-15(19)17-14-8-6-5-7-13(14)16(2,3)4/h5-8,12,18H,9-11H2,1-4H3,(H,17,19).
What are the key properties of N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide has a molecular weight of 295.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is sourced from PubChem (CID 111542622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).