N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide

C17H20N2O2S — CID 162730887

IUPACN-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide
SMILESCc1ccc(SN(C)C)cc1NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C17H20N2O2S/c1-12-4-9-15(22-19(2)3)11-16(12)18-17(21)10-13-5-7-14(20)8-6-13/h4-9,11,20H,10H2,1-3H3,(H,18,21)
InChIKeyDTCLBOAESSODQW-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.45
Rot. Bonds5

About N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide

N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 162730887) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID162730887
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide
SMILESCc1ccc(SN(C)C)cc1NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C17H20N2O2S/c1-12-4-9-15(22-19(2)3)11-16(12)18-17(21)10-13-5-7-14(20)8-6-13/h4-9,11,20H,10H2,1-3H3,(H,18,21)
InChIKeyDTCLBOAESSODQW-UHFFFAOYSA-N
XLogP3.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-phenylacetamide
CID 162730824
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 162730879
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838138
N-(3-hydroxy-4-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 64794194
N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020877
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671815
N-(2-fluoro-5-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838557
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
N-(5-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787113
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996467

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide (CID 162730887) is N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide is Cc1ccc(SN(C)C)cc1NC(=O)Cc1ccc(O)cc1.
What is the InChIKey of N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is DTCLBOAESSODQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-4-9-15(22-19(2)3)11-16(12)18-17(21)10-13-5-7-14(20)8-6-13/h4-9,11,20H,10H2,1-3H3,(H,18,21).
What are the key properties of N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide?
N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylaminosulfanyl)-2-methylphenyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 162730887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).