N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide

C14H19NO3S — CID 66104887

IUPACN-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSCC(C)CO)cc1
InChIInChI=1S/C14H19NO3S/c1-10(7-16)8-19-9-14(18)15-13-5-3-12(4-6-13)11(2)17/h3-6,10,16H,7-9H2,1-2H3,(H,15,18)
InChIKeyQQEUWGSCWRUPPD-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.19
Rot. Bonds7

About N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide

N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (PubChem CID 66104887) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
PubChem CID66104887
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CSCC(C)CO)cc1
InChIInChI=1S/C14H19NO3S/c1-10(7-16)8-19-9-14(18)15-13-5-3-12(4-6-13)11(2)17/h3-6,10,16H,7-9H2,1-2H3,(H,15,18)
InChIKeyQQEUWGSCWRUPPD-UHFFFAOYSA-N
XLogP2.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64914068
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide
CID 66103845
N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide
CID 118700307
N-(4-acetylphenyl)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetamide
CID 5085970
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 112779393
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 66225221
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66104647
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
N-(4-acetylphenyl)-3,3,3-trifluoropropanamide
CID 24695395

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (CID 66104887) is N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is CC(=O)c1ccc(NC(=O)CSCC(C)CO)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The InChIKey is QQEUWGSCWRUPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10(7-16)8-19-9-14(18)15-13-5-3-12(4-6-13)11(2)17/h3-6,10,16H,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide has a molecular weight of 281.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is sourced from PubChem (CID 66104887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).