2-methylsulfanyl-N,N,2-triphenylacetamide

C21H19NOS — CID 135072234

IUPAC2-methylsulfanyl-N,N,2-triphenylacetamide
SMILESCSC(C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NOS/c1-24-20(17-11-5-2-6-12-17)21(23)22(18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20H,1H3
InChIKeyRVJLSRIKWHOVDG-UHFFFAOYSA-N
MW333.46 g/mol
LogP5.46
Rot. Bonds5

About 2-methylsulfanyl-N,N,2-triphenylacetamide

2-methylsulfanyl-N,N,2-triphenylacetamide (PubChem CID 135072234) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-methylsulfanyl-N,N,2-triphenylacetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N,N,2-triphenylacetamide
PubChem CID135072234
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC Name2-methylsulfanyl-N,N,2-triphenylacetamide
SMILESCSC(C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NOS/c1-24-20(17-11-5-2-6-12-17)21(23)22(18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20H,1H3
InChIKeyRVJLSRIKWHOVDG-UHFFFAOYSA-N
XLogP5.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N,N,2-triphenylacetamide?
The IUPAC name of 2-methylsulfanyl-N,N,2-triphenylacetamide (CID 135072234) is 2-methylsulfanyl-N,N,2-triphenylacetamide.
What is the SMILES notation for 2-methylsulfanyl-N,N,2-triphenylacetamide?
The canonical SMILES for 2-methylsulfanyl-N,N,2-triphenylacetamide is CSC(C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N,N,2-triphenylacetamide?
The InChIKey is RVJLSRIKWHOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS/c1-24-20(17-11-5-2-6-12-17)21(23)22(18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20H,1H3.
What are the key properties of 2-methylsulfanyl-N,N,2-triphenylacetamide?
2-methylsulfanyl-N,N,2-triphenylacetamide has a molecular weight of 333.46 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N,N,2-triphenylacetamide is sourced from PubChem (CID 135072234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).