2-benzhydrylsulfanyl-N-methylacetamide

C16H17NOS — CID 13269476

IUPAC2-benzhydrylsulfanyl-N-methylacetamide
SMILESCNC(=O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c1-17-15(18)12-19-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)
InChIKeyVBLOYTBDVHDEGM-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.26
Rot. Bonds5

About 2-benzhydrylsulfanyl-N-methylacetamide

2-benzhydrylsulfanyl-N-methylacetamide (PubChem CID 13269476) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N-methylacetamide
PubChem CID13269476
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name2-benzhydrylsulfanyl-N-methylacetamide
SMILESCNC(=O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c1-17-15(18)12-19-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)
InChIKeyVBLOYTBDVHDEGM-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N-methylacetamide?
The IUPAC name of 2-benzhydrylsulfanyl-N-methylacetamide (CID 13269476) is 2-benzhydrylsulfanyl-N-methylacetamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-N-methylacetamide?
The canonical SMILES for 2-benzhydrylsulfanyl-N-methylacetamide is CNC(=O)CSC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfanyl-N-methylacetamide?
The InChIKey is VBLOYTBDVHDEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-17-15(18)12-19-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18).
What are the key properties of 2-benzhydrylsulfanyl-N-methylacetamide?
2-benzhydrylsulfanyl-N-methylacetamide has a molecular weight of 271.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-N-methylacetamide is sourced from PubChem (CID 13269476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).