N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide

C15H15NO3S — CID 7974901

IUPACN-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccccc2)cc1O
InChIInChI=1S/C15H15NO3S/c1-19-14-8-7-11(9-13(14)17)16-15(18)10-20-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyISWSIJBEZBAEKZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.13
Rot. Bonds5

About N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide

N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide (PubChem CID 7974901) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide
PubChem CID7974901
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccccc2)cc1O
InChIInChI=1S/C15H15NO3S/c1-19-14-8-7-11(9-13(14)17)16-15(18)10-20-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyISWSIJBEZBAEKZ-UHFFFAOYSA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 60860600
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
3-amino-N-(3-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 43710838
N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891778
2-acetyloxy-5-[(2-phenylsulfanylacetyl)amino]benzoic acid;methoxymethane
CID 69402000
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902730
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677
N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 46769269
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 972558

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide (CID 7974901) is N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide is COc1ccc(NC(=O)CSc2ccccc2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide?
The InChIKey is ISWSIJBEZBAEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-19-14-8-7-11(9-13(14)17)16-15(18)10-20-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,16,18).
What are the key properties of N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide?
N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide has a molecular weight of 289.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 7974901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).