N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide

C22H21NO2S — CID 2933096

IUPACN-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2S/c1-16-13-14-20(25-2)19(15-16)23-22(24)21(17-9-5-3-6-10-17)26-18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,23,24)
InChIKeyDWPJETBKFRHIDL-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.48
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide

N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2933096) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2933096
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2S/c1-16-13-14-20(25-2)19(15-16)23-22(24)21(17-9-5-3-6-10-17)26-18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,23,24)
InChIKeyDWPJETBKFRHIDL-UHFFFAOYSA-N
XLogP5.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 2933096) is N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide is COc1ccc(C)cc1NC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is DWPJETBKFRHIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-16-13-14-20(25-2)19(15-16)23-22(24)21(17-9-5-3-6-10-17)26-18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,23,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 363.48 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2933096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).