N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide

C12H14N2O4S — CID 112684914

IUPACN-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(OCC#N)cc1)S(C)(=O)=O
InChIInChI=1S/C12H14N2O4S/c1-9(19(2,16)17)12(15)14-10-3-5-11(6-4-10)18-8-7-13/h3-6,9H,8H2,1-2H3,(H,14,15)
InChIKeyDRTPUPVONZSZEL-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.96
Rot. Bonds5

About N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide

N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide (PubChem CID 112684914) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide
PubChem CID112684914
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(OCC#N)cc1)S(C)(=O)=O
InChIInChI=1S/C12H14N2O4S/c1-9(19(2,16)17)12(15)14-10-3-5-11(6-4-10)18-8-7-13/h3-6,9H,8H2,1-2H3,(H,14,15)
InChIKeyDRTPUPVONZSZEL-UHFFFAOYSA-N
XLogP0.96
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide
CID 43242605
methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate
CID 61458467
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide
CID 62997815
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
2-hydroxyethyl N-[4-(cyanomethoxy)phenyl]carbamate
CID 79345574
2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 30873439
N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319304
2-[4-(2-methylpropanoyl)phenoxy]acetonitrile
CID 82076680
N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide
CID 43175608
N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
CID 43242609

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide (CID 112684914) is N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide is CC(C(=O)Nc1ccc(OCC#N)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide?
The InChIKey is DRTPUPVONZSZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-9(19(2,16)17)12(15)14-10-3-5-11(6-4-10)18-8-7-13/h3-6,9H,8H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide?
N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide has a molecular weight of 282.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 112684914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).