2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide

C14H21NO2S — CID 114234847

IUPAC2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide
SMILESCC[C@@H](O)c1ccccc1SCC(=O)NC(C)C
InChIInChI=1S/C14H21NO2S/c1-4-12(16)11-7-5-6-8-13(11)18-9-14(17)15-10(2)3/h5-8,10,12,16H,4,9H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyVUTHXDARZONGLD-GFCCVEGCSA-N
MW267.39 g/mol
LogP2.75
Rot. Bonds6

About 2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide

2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide (PubChem CID 114234847) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide
PubChem CID114234847
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide
SMILESCC[C@@H](O)c1ccccc1SCC(=O)NC(C)C
InChIInChI=1S/C14H21NO2S/c1-4-12(16)11-7-5-6-8-13(11)18-9-14(17)15-10(2)3/h5-8,10,12,16H,4,9H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyVUTHXDARZONGLD-GFCCVEGCSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanylpropane-1,2-diol
CID 103960852
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 16795753
(1S)-1-(2-butylsulfanylphenyl)propan-1-ol
CID 103960769
2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 7779316
N-(4-ethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 8745389
(1R)-1-[2-(3-hydroxypropylsulfanyl)phenyl]propan-1-ol
CID 103960848
N-(2-amino-2-oxoethyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9295788
N-cyclopropyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9165626
2-[ethyl-[2-(2-hydroxyphenyl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 62000330
N-[1-(4-methoxyphenyl)propyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55371853
2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide
CID 115767175

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide (CID 114234847) is 2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide is CC[C@@H](O)c1ccccc1SCC(=O)NC(C)C.
What is the InChIKey of 2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide?
The InChIKey is VUTHXDARZONGLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-12(16)11-7-5-6-8-13(11)18-9-14(17)15-10(2)3/h5-8,10,12,16H,4,9H2,1-3H3,(H,15,17)/t12-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide?
2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide has a molecular weight of 267.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxypropyl]phenyl]sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114234847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).