2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide

C15H22N2O5S — CID 91766386

IUPAC2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
SMILESCC(C)S(=O)(=O)CC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1
InChIInChI=1S/C15H22N2O5S/c1-11(2)23(19,20)10-14(18)17-12-9-21-8-6-13(12)22-15-5-3-4-7-16-15/h3-5,7,11-13H,6,8-10H2,1-2H3,(H,17,18)/t12-,13-/m1/s1
InChIKeyOSYYGJCUSHOGFD-CHWSQXEVSA-N
MW342.42 g/mol
LogP0.56
Rot. Bonds6

About 2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide

2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide (PubChem CID 91766386) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide.

Molecular Properties

Compound Name2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
PubChem CID91766386
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
SMILESCC(C)S(=O)(=O)CC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1
InChIInChI=1S/C15H22N2O5S/c1-11(2)23(19,20)10-14(18)17-12-9-21-8-6-13(12)22-15-5-3-4-7-16-15/h3-5,7,11-13H,6,8-10H2,1-2H3,(H,17,18)/t12-,13-/m1/s1
InChIKeyOSYYGJCUSHOGFD-CHWSQXEVSA-N
XLogP0.56
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea
CID 91777188
3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
CID 91792493
N-[2-oxo-2-[(4-pyridin-2-yloxyoxan-3-yl)amino]ethyl]benzamide
CID 156608743
2-phenylmethoxy-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91761107
2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91783421
N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
CID 91773229
1-phenyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]cyclopropane-1-carboxamide
CID 91795536
5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91798306
4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide
CID 91786651
N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
CID 91790643
3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91764238
2-methylsulfanyl-N-(4-pyridin-2-yloxyoxan-3-yl)-1,3-thiazole-4-carboxamide
CID 156608294

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide?
The IUPAC name of 2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide (CID 91766386) is 2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide.
What is the SMILES notation for 2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide?
The canonical SMILES for 2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide is CC(C)S(=O)(=O)CC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1.
What is the InChIKey of 2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide?
The InChIKey is OSYYGJCUSHOGFD-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-11(2)23(19,20)10-14(18)17-12-9-21-8-6-13(12)22-15-5-3-4-7-16-15/h3-5,7,11-13H,6,8-10H2,1-2H3,(H,17,18)/t12-,13-/m1/s1.
What are the key properties of 2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide?
2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide is sourced from PubChem (CID 91766386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).