N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide

C16H20N2O5S — CID 71882542

IUPACN-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCCO1)C(=O)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H20N2O5S/c1-12(23-11-14-6-2-3-8-22-14)16(19)18-24(20,21)15-7-4-5-13(9-15)10-17/h4-5,7,9,12,14H,2-3,6,8,11H2,1H3,(H,18,19)
InChIKeyLHAWXECYADJYON-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.34
Rot. Bonds6

About N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide

N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide (PubChem CID 71882542) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide
PubChem CID71882542
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCCO1)C(=O)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H20N2O5S/c1-12(23-11-14-6-2-3-8-22-14)16(19)18-24(20,21)15-7-4-5-13(9-15)10-17/h4-5,7,9,12,14H,2-3,6,8,11H2,1H3,(H,18,19)
InChIKeyLHAWXECYADJYON-UHFFFAOYSA-N
XLogP1.34
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3-cyanophenyl)sulfonyl-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 95270061
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
(2S)-N-(3-methylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269998
N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 75417596
(2R)-N-(3-chlorophenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269990
N-(3-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884570
(2R)-N-naphthalen-2-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269930
3-cyano-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406410
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884607
(2R)-2-[[(2R)-oxan-2-yl]methoxy]-N-thiophen-2-ylsulfonylpropanamide
CID 95272613
(2R)-N-(5-bromothiophen-2-yl)sulfonyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 97209318
(2R)-N-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269973

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide?
The IUPAC name of N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide (CID 71882542) is N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide is CC(OCC1CCCCO1)C(=O)NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide?
The InChIKey is LHAWXECYADJYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-12(23-11-14-6-2-3-8-22-14)16(19)18-24(20,21)15-7-4-5-13(9-15)10-17/h4-5,7,9,12,14H,2-3,6,8,11H2,1H3,(H,18,19).
What are the key properties of N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide?
N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide has a molecular weight of 352.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide is sourced from PubChem (CID 71882542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).