2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide

C17H19NOS — CID 4057069

IUPAC2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-13(2)18-17(19)16(14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,18,19)
InChIKeySCODDKHWLZWHLU-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.04
Rot. Bonds5

About 2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide

2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide (PubChem CID 4057069) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
PubChem CID4057069
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-13(2)18-17(19)16(14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,18,19)
InChIKeySCODDKHWLZWHLU-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide (CID 4057069) is 2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide?
The InChIKey is SCODDKHWLZWHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13(2)18-17(19)16(14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H,18,19).
What are the key properties of 2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide?
2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide has a molecular weight of 285.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 4057069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).