(2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide

C22H22N2OS — CID 40635886

IUPAC(2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCCN(Cc1ccncc1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2OS/c1-2-24(17-18-13-15-23-16-14-18)22(25)21(19-9-5-3-6-10-19)26-20-11-7-4-8-12-20/h3-16,21H,2,17H2,1H3/t21-/m0/s1
InChIKeyHCLONBOSCFBXQV-NRFANRHFSA-N
MW362.50 g/mol
LogP4.96
Rot. Bonds7

About (2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide

(2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 40635886) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is (2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID40635886
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name(2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCCN(Cc1ccncc1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2OS/c1-2-24(17-18-13-15-23-16-14-18)22(25)21(19-9-5-3-6-10-19)26-20-11-7-4-8-12-20/h3-16,21H,2,17H2,1H3/t21-/m0/s1
InChIKeyHCLONBOSCFBXQV-NRFANRHFSA-N
XLogP4.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
CID 10125724
2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
CID 3702485
N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 5102974
(2R)-N-ethyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 884563
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
N-ethyl-3-(4-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 46995859
ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
CID 103822924
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of (2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide (CID 40635886) is (2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for (2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for (2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide is CCN(Cc1ccncc1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is HCLONBOSCFBXQV-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-2-24(17-18-13-15-23-16-14-18)22(25)21(19-9-5-3-6-10-19)26-20-11-7-4-8-12-20/h3-16,21H,2,17H2,1H3/t21-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide?
(2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 362.50 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 40635886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).