2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide

C16H20N4O2S — CID 124606152

IUPAC2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
SMILESO=C(CSC[C@@H]1CCCCO1)Nc1cc(-c2ccncc2)[nH]n1
InChIInChI=1S/C16H20N4O2S/c21-16(11-23-10-13-3-1-2-8-22-13)18-15-9-14(19-20-15)12-4-6-17-7-5-12/h4-7,9,13H,1-3,8,10-11H2,(H2,18,19,20,21)/t13-/m0/s1
InChIKeyMMOVTMVJZUUYHM-ZDUSSCGKSA-N
MW332.43 g/mol
LogP2.71
Rot. Bonds6

About 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide

2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 124606152) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
PubChem CID124606152
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
SMILESO=C(CSC[C@@H]1CCCCO1)Nc1cc(-c2ccncc2)[nH]n1
InChIInChI=1S/C16H20N4O2S/c21-16(11-23-10-13-3-1-2-8-22-13)18-15-9-14(19-20-15)12-4-6-17-7-5-12/h4-7,9,13H,1-3,8,10-11H2,(H2,18,19,20,21)/t13-/m0/s1
InChIKeyMMOVTMVJZUUYHM-ZDUSSCGKSA-N
XLogP2.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide
CID 124615544
N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126832616
N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126841566
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide
CID 110471886
N-(3-amino-4-methoxyphenyl)-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119420081
N-(3-bromo-1-methylpyrazol-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126833040
N-[5-cyano-2-(methylamino)phenyl]-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide
CID 129486600
(2R)-2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]-3-phenylpropanoic acid
CID 119367033
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 136557584
N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
CID 106494309
2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079
5-chloro-N-[5-[4-(oxan-2-yloxy)phenyl]-1H-pyrazol-3-yl]pentanamide
CID 91068471

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide (CID 124606152) is 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide is O=C(CSC[C@@H]1CCCCO1)Nc1cc(-c2ccncc2)[nH]n1.
What is the InChIKey of 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is MMOVTMVJZUUYHM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-16(11-23-10-13-3-1-2-8-22-13)18-15-9-14(19-20-15)12-4-6-17-7-5-12/h4-7,9,13H,1-3,8,10-11H2,(H2,18,19,20,21)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide?
2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 124606152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).