(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide

C16H16ClNOS — CID 40544089

IUPAC(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide
SMILESC[C@](Cl)(CSc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16ClNOS/c1-16(17,12-20-14-10-6-3-7-11-14)15(19)18-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyWOSYBQOLZHTIIG-INIZCTEOSA-N
MW305.83 g/mol
LogP4.41
Rot. Bonds5

About (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide

(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide (PubChem CID 40544089) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide
PubChem CID40544089
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide
SMILESC[C@](Cl)(CSc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16ClNOS/c1-16(17,12-20-14-10-6-3-7-11-14)15(19)18-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyWOSYBQOLZHTIIG-INIZCTEOSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide?
The IUPAC name of (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide (CID 40544089) is (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide is C[C@](Cl)(CSc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide?
The InChIKey is WOSYBQOLZHTIIG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-16(17,12-20-14-10-6-3-7-11-14)15(19)18-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide?
(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide has a molecular weight of 305.83 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 40544089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).