N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide

C15H16N2O2S — CID 43377174

IUPACN-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2cc(N)ccc2O)cc1
InChIInChI=1S/C15H16N2O2S/c1-10(18)17-13-3-5-14(6-4-13)20-9-11-8-12(16)2-7-15(11)19/h2-8,19H,9,16H2,1H3,(H,17,18)
InChIKeyNQPLQNFCZBPLKG-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.23
Rot. Bonds4

About N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide

N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide (PubChem CID 43377174) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide
PubChem CID43377174
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2cc(N)ccc2O)cc1
InChIInChI=1S/C15H16N2O2S/c1-10(18)17-13-3-5-14(6-4-13)20-9-11-8-12(16)2-7-15(11)19/h2-8,19H,9,16H2,1H3,(H,17,18)
InChIKeyNQPLQNFCZBPLKG-UHFFFAOYSA-N
XLogP3.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(3,4-dimethylphenyl)sulfanylmethyl]phenol
CID 43377168
N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide
CID 26301339
N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide
CID 8819584
N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide
CID 18209765
4-[(4-acetamidophenyl)sulfanylmethyl]benzamide
CID 27355031
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
CID 63582844
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
2-(4-acetamidophenyl)sulfanylethyl acetate
CID 71349184
methyl 3-[(4-acetamidophenyl)sulfanylmethyl]thiophene-2-carboxylate
CID 122157340
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736
N-[4-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]phenyl]acetamide
CID 62189993

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide (CID 43377174) is N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(SCc2cc(N)ccc2O)cc1.
What is the InChIKey of N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide?
The InChIKey is NQPLQNFCZBPLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10(18)17-13-3-5-14(6-4-13)20-9-11-8-12(16)2-7-15(11)19/h2-8,19H,9,16H2,1H3,(H,17,18).
What are the key properties of N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide?
N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide has a molecular weight of 288.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 43377174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).