2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide

C14H19NO3S — CID 62000136

IUPAC2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CSc1ccccc1O)C(C)C
InChIInChI=1S/C14H19NO3S/c1-9(2)14(10(3)16)15-13(18)8-19-12-7-5-4-6-11(12)17/h4-7,9,14,17H,8H2,1-3H3,(H,15,18)
InChIKeyQSHDBMLWXLWCGG-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.21
Rot. Bonds6

About 2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 62000136) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID62000136
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CSc1ccccc1O)C(C)C
InChIInChI=1S/C14H19NO3S/c1-9(2)14(10(3)16)15-13(18)8-19-12-7-5-4-6-11(12)17/h4-7,9,14,17H,8H2,1-3H3,(H,15,18)
InChIKeyQSHDBMLWXLWCGG-UHFFFAOYSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43302362
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 82841898
methyl 2-[[2-(2-hydroxyphenyl)sulfanylacetyl]amino]-4-methylpentanoate
CID 3271694
N-(2-methyl-4-oxopentan-3-yl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61385169
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 94582080
N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
CID 62028199
N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 62018645
2-[ethyl-[2-(2-hydroxyphenyl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 62000330
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306507
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306552
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 62000136) is 2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CSc1ccccc1O)C(C)C.
What is the InChIKey of 2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is QSHDBMLWXLWCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9(2)14(10(3)16)15-13(18)8-19-12-7-5-4-6-11(12)17/h4-7,9,14,17H,8H2,1-3H3,(H,15,18).
What are the key properties of 2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 281.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 62000136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).