N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide

C14H16N2O4S — CID 64690218

IUPACN-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide
SMILESN#Cc1cccc(NC(=O)CS(=O)(=O)C2CCOCC2)c1
InChIInChI=1S/C14H16N2O4S/c15-9-11-2-1-3-12(8-11)16-14(17)10-21(18,19)13-4-6-20-7-5-13/h1-3,8,13H,4-7,10H2,(H,16,17)
InChIKeyAQAKXUWNBGMKGH-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.09
Rot. Bonds4

About N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide

N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide (PubChem CID 64690218) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide
PubChem CID64690218
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide
SMILESN#Cc1cccc(NC(=O)CS(=O)(=O)C2CCOCC2)c1
InChIInChI=1S/C14H16N2O4S/c15-9-11-2-1-3-12(8-11)16-14(17)10-21(18,19)13-4-6-20-7-5-13/h1-3,8,13H,4-7,10H2,(H,16,17)
InChIKeyAQAKXUWNBGMKGH-UHFFFAOYSA-N
XLogP1.09
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
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N'-(3-cyanophenyl)-N-cyclopentylpropanediamide
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CID 9265356
N-(3-cyanophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
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N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
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2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
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N-(3-cyanophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
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CID 729975

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide (CID 64690218) is N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide is N#Cc1cccc(NC(=O)CS(=O)(=O)C2CCOCC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide?
The InChIKey is AQAKXUWNBGMKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c15-9-11-2-1-3-12(8-11)16-14(17)10-21(18,19)13-4-6-20-7-5-13/h1-3,8,13H,4-7,10H2,(H,16,17).
What are the key properties of N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide?
N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide has a molecular weight of 308.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(oxan-4-ylsulfonyl)acetamide is sourced from PubChem (CID 64690218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).