2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide

C11H14N2O3S — CID 12850521

IUPAC2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H14N2O3S/c1-7(14)12-10(6-17)11(16)13-8-2-4-9(15)5-3-8/h2-5,10,15,17H,6H2,1H3,(H,12,14)(H,13,16)
InChIKeyYGCVGTCPKAARSA-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.77
Rot. Bonds4

About 2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide

2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide (PubChem CID 12850521) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide
PubChem CID12850521
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C11H14N2O3S/c1-7(14)12-10(6-17)11(16)13-8-2-4-9(15)5-3-8/h2-5,10,15,17H,6H2,1H3,(H,12,14)(H,13,16)
InChIKeyYGCVGTCPKAARSA-UHFFFAOYSA-N
XLogP0.77
TPSA78.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-(4-methylsulfonylphenyl)-3-sulfanylpropanamide
CID 107769049
2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide
CID 107769022
2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide
CID 107769632
2-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-sulfanylpropanamide
CID 107769620
2-acetamido-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 107769779
(2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide
CID 59293509
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide
CID 107768918
2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide
CID 107769444
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
CID 174353959

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide (CID 12850521) is 2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide?
The InChIKey is YGCVGTCPKAARSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7(14)12-10(6-17)11(16)13-8-2-4-9(15)5-3-8/h2-5,10,15,17H,6H2,1H3,(H,12,14)(H,13,16).
What are the key properties of 2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide?
2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide has a molecular weight of 254.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 12850521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).