N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide

C16H22N2O3S — CID 71914438

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C16H22N2O3S/c1-11(15-8-6-5-7-9-15)10-22(19,20)18-13(3)16-12(2)17-21-14(16)4/h5-9,11,13,18H,10H2,1-4H3
InChIKeyFGUNZDJOTKICHF-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.08
Rot. Bonds6

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide (PubChem CID 71914438) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
PubChem CID71914438
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C16H22N2O3S/c1-11(15-8-6-5-7-9-15)10-22(19,20)18-13(3)16-12(2)17-21-14(16)4/h5-9,11,13,18H,10H2,1-4H3
InChIKeyFGUNZDJOTKICHF-UHFFFAOYSA-N
XLogP3.08
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide (CID 71914438) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide is Cc1noc(C)c1C(C)NS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide?
The InChIKey is FGUNZDJOTKICHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-11(15-8-6-5-7-9-15)10-22(19,20)18-13(3)16-12(2)17-21-14(16)4/h5-9,11,13,18H,10H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 71914438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).