N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide

C14H20N2O3S — CID 79593944

IUPACN-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-13(2)19-11-12-20(17,18)16(10-6-9-15)14-7-4-3-5-8-14/h3-5,7-8,13H,6,10-12H2,1-2H3
InChIKeyNVGZKYYCHRENJQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.16
Rot. Bonds8

About N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide

N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide (PubChem CID 79593944) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide
PubChem CID79593944
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-13(2)19-11-12-20(17,18)16(10-6-9-15)14-7-4-3-5-8-14/h3-5,7-8,13H,6,10-12H2,1-2H3
InChIKeyNVGZKYYCHRENJQ-UHFFFAOYSA-N
XLogP2.16
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide (CID 79593944) is N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide?
The InChIKey is NVGZKYYCHRENJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-13(2)19-11-12-20(17,18)16(10-6-9-15)14-7-4-3-5-8-14/h3-5,7-8,13H,6,10-12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide?
N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79593944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).