N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide

C17H20N2O2S — CID 110930982

IUPACN-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide
SMILESCN(CCO)c1ccc(NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-19(11-12-20)15-9-7-14(8-10-15)18-17(21)13-22-16-5-3-2-4-6-16/h2-10,20H,11-13H2,1H3,(H,18,21)
InChIKeyHCAFQAPURMLIGC-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.85
Rot. Bonds7

About N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide

N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide (PubChem CID 110930982) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide
PubChem CID110930982
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide
SMILESCN(CCO)c1ccc(NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-19(11-12-20)15-9-7-14(8-10-15)18-17(21)13-22-16-5-3-2-4-6-16/h2-10,20H,11-13H2,1H3,(H,18,21)
InChIKeyHCAFQAPURMLIGC-UHFFFAOYSA-N
XLogP2.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 40689481
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 110930980
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 8752896
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide (CID 110930982) is N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide is CN(CCO)c1ccc(NC(=O)CSc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide?
The InChIKey is HCAFQAPURMLIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-19(11-12-20)15-9-7-14(8-10-15)18-17(21)13-22-16-5-3-2-4-6-16/h2-10,20H,11-13H2,1H3,(H,18,21).
What are the key properties of N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide?
N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide has a molecular weight of 316.43 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 110930982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).