(2S)-2-phenyl-3-phenylsulfanylpropanamide

C15H15NOS — CID 59979029

IUPAC(2S)-2-phenyl-3-phenylsulfanylpropanamide
SMILESNC(=O)[C@@H](CSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NOS/c16-15(17)14(12-7-3-1-4-8-12)11-18-13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,16,17)/t14-/m0/s1
InChIKeyNCZHKGUDIVXEDS-AWEZNQCLSA-N
MW257.36 g/mol
LogP3.05
Rot. Bonds5

About (2S)-2-phenyl-3-phenylsulfanylpropanamide

(2S)-2-phenyl-3-phenylsulfanylpropanamide (PubChem CID 59979029) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (2S)-2-phenyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-3-phenylsulfanylpropanamide
PubChem CID59979029
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(2S)-2-phenyl-3-phenylsulfanylpropanamide
SMILESNC(=O)[C@@H](CSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NOS/c16-15(17)14(12-7-3-1-4-8-12)11-18-13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,16,17)/t14-/m0/s1
InChIKeyNCZHKGUDIVXEDS-AWEZNQCLSA-N
XLogP3.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-phenylpropanamide
CID 123321549
(2R)-2-phenylbutanamide
CID 139147476
(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride
CID 13192756
2-hydroxy-3-phenylsulfanylpropanoic acid
CID 14591356
3-(4-nitrophenyl)sulfanyl-2-phenylpropanoic acid
CID 60650898
5-oxo-2-phenylpentanamide
CID 154070260
methyl 3-phenylsulfanyl-2-(phenylsulfanylmethyl)propanoate
CID 13347330
2-amino-4-phenylsulfanylbutanamide
CID 63033398
2-phenylheptanamide
CID 67221214
methyl (2R)-2-acetamido-3-phenylsulfanylpropanoate
CID 2723737
2-phenyl-3-phenylsulfanylpropan-1-amine
CID 64536034
2-acetamido-N-(2-amino-2-oxoethyl)-3-phenylsulfanylpropanamide
CID 3507382

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-3-phenylsulfanylpropanamide?
The IUPAC name of (2S)-2-phenyl-3-phenylsulfanylpropanamide (CID 59979029) is (2S)-2-phenyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-2-phenyl-3-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-2-phenyl-3-phenylsulfanylpropanamide is NC(=O)[C@@H](CSc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-3-phenylsulfanylpropanamide?
The InChIKey is NCZHKGUDIVXEDS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NOS/c16-15(17)14(12-7-3-1-4-8-12)11-18-13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,16,17)/t14-/m0/s1.
What are the key properties of (2S)-2-phenyl-3-phenylsulfanylpropanamide?
(2S)-2-phenyl-3-phenylsulfanylpropanamide has a molecular weight of 257.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 59979029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).