(2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide

C17H18N2O2S — CID 949421

IUPAC(2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide
SMILESCC[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H18N2O2S/c1-3-15(22-16-6-4-5-11-18-16)17(21)19-14-9-7-13(8-10-14)12(2)20/h4-11,15H,3H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyKPEFQVIPCHSNMJ-OAHLLOKOSA-N
MW314.41 g/mol
LogP3.79
Rot. Bonds6

About (2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide

(2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide (PubChem CID 949421) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide
PubChem CID949421
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name(2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide
SMILESCC[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H18N2O2S/c1-3-15(22-16-6-4-5-11-18-16)17(21)19-14-9-7-13(8-10-14)12(2)20/h4-11,15H,3H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyKPEFQVIPCHSNMJ-OAHLLOKOSA-N
XLogP3.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 795640
ethyl 4-(2-pyridin-2-ylsulfanylbutanoylamino)benzoate
CID 2964289
N-(4-acetylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304700
N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 23743160
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
CID 8813442
(2R)-N-(4-acetylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 834126
N-(4-acetylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 2941327
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-acetylphenyl)butanamide
CID 2931489
N-(4-acetylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylbutanamide
CID 660696
ethyl 4-[(2-phenyl-2-pyridin-2-ylsulfanylacetyl)amino]benzoate
CID 123132769
N-(4-acetylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906002

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide (CID 949421) is (2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide is CC[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide?
The InChIKey is KPEFQVIPCHSNMJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-3-15(22-16-6-4-5-11-18-16)17(21)19-14-9-7-13(8-10-14)12(2)20/h4-11,15H,3H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide?
(2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide has a molecular weight of 314.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide is sourced from PubChem (CID 949421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).