2-benzhydrylsulfanyl-N,N-dimethylacetamide

C17H19NOS — CID 53324068

IUPAC2-benzhydrylsulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-18(2)16(19)13-20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3
InChIKeyPXXGBWLSBNBRSS-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.60
Rot. Bonds5

About 2-benzhydrylsulfanyl-N,N-dimethylacetamide

2-benzhydrylsulfanyl-N,N-dimethylacetamide (PubChem CID 53324068) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N,N-dimethylacetamide
PubChem CID53324068
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-benzhydrylsulfanyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-18(2)16(19)13-20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3
InChIKeyPXXGBWLSBNBRSS-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-benzhydrylsulfanyl-N,N-dimethylacetamide (CID 53324068) is 2-benzhydrylsulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-benzhydrylsulfanyl-N,N-dimethylacetamide is CN(C)C(=O)CSC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfanyl-N,N-dimethylacetamide?
The InChIKey is PXXGBWLSBNBRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-18(2)16(19)13-20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3.
What are the key properties of 2-benzhydrylsulfanyl-N,N-dimethylacetamide?
2-benzhydrylsulfanyl-N,N-dimethylacetamide has a molecular weight of 285.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 53324068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).