N-methyl-N-phenyl-2-phenylsulfanylacetamide

C15H15NOS — CID 1122365

IUPACN-methyl-N-phenyl-2-phenylsulfanylacetamide
SMILESCN(C(=O)CSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NOS/c1-16(13-8-4-2-5-9-13)15(17)12-18-14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyPZCXIYOVFNBTFF-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.44
Rot. Bonds4

About N-methyl-N-phenyl-2-phenylsulfanylacetamide

N-methyl-N-phenyl-2-phenylsulfanylacetamide (PubChem CID 1122365) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-phenylsulfanylacetamide
PubChem CID1122365
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-methyl-N-phenyl-2-phenylsulfanylacetamide
SMILESCN(C(=O)CSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NOS/c1-16(13-8-4-2-5-9-13)15(17)12-18-14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyPZCXIYOVFNBTFF-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-methyl-N-phenyl-2-phenylsulfanylacetamide (CID 1122365) is N-methyl-N-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-methyl-N-phenyl-2-phenylsulfanylacetamide is CN(C(=O)CSc1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-phenylsulfanylacetamide?
The InChIKey is PZCXIYOVFNBTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-16(13-8-4-2-5-9-13)15(17)12-18-14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-phenylsulfanylacetamide?
N-methyl-N-phenyl-2-phenylsulfanylacetamide has a molecular weight of 257.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 1122365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).