N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide

C16H17NO2S — CID 107028761

IUPACN-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(S)cc2)c(C)c1
InChIInChI=1S/C16H17NO2S/c1-11-9-13(19-2)5-8-15(11)17-16(18)10-12-3-6-14(20)7-4-12/h3-9,20H,10H2,1-2H3,(H,17,18)
InChIKeyZWJAQYOUBLYPHX-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.47
Rot. Bonds4

About N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide

N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107028761) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107028761
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(S)cc2)c(C)c1
InChIInChI=1S/C16H17NO2S/c1-11-9-13(19-2)5-8-15(11)17-16(18)10-12-3-6-14(20)7-4-12/h3-9,20H,10H2,1-2H3,(H,17,18)
InChIKeyZWJAQYOUBLYPHX-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
2-(2-hydroxyphenyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 78919759
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
CID 62872080
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020003
N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020877
N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide (CID 107028761) is N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide is COc1ccc(NC(=O)Cc2ccc(S)cc2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is ZWJAQYOUBLYPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11-9-13(19-2)5-8-15(11)17-16(18)10-12-3-6-14(20)7-4-12/h3-9,20H,10H2,1-2H3,(H,17,18).
What are the key properties of N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide?
N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 287.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107028761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).