N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide

C19H30N2O3S — CID 44631393

IUPACN-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide
SMILESCCC(CCCCN(C)S(=O)(=O)c1ccccc1)C1=N[C@H](CC)CO1
InChIInChI=1S/C19H30N2O3S/c1-4-16(19-20-17(5-2)15-24-19)11-9-10-14-21(3)25(22,23)18-12-7-6-8-13-18/h6-8,12-13,16-17H,4-5,9-11,14-15H2,1-3H3/t16?,17-/m1/s1
InChIKeyNEKNIRDPNKGRGZ-ZYMOGRSISA-N
MW366.53 g/mol
LogP3.71
Rot. Bonds10

About N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide

N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide (PubChem CID 44631393) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide
PubChem CID44631393
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide
SMILESCCC(CCCCN(C)S(=O)(=O)c1ccccc1)C1=N[C@H](CC)CO1
InChIInChI=1S/C19H30N2O3S/c1-4-16(19-20-17(5-2)15-24-19)11-9-10-14-21(3)25(22,23)18-12-7-6-8-13-18/h6-8,12-13,16-17H,4-5,9-11,14-15H2,1-3H3/t16?,17-/m1/s1
InChIKeyNEKNIRDPNKGRGZ-ZYMOGRSISA-N
XLogP3.71
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide (CID 44631393) is N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide is CCC(CCCCN(C)S(=O)(=O)c1ccccc1)C1=N[C@H](CC)CO1.
What is the InChIKey of N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide?
The InChIKey is NEKNIRDPNKGRGZ-ZYMOGRSISA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-4-16(19-20-17(5-2)15-24-19)11-9-10-14-21(3)25(22,23)18-12-7-6-8-13-18/h6-8,12-13,16-17H,4-5,9-11,14-15H2,1-3H3/t16?,17-/m1/s1.
What are the key properties of N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide?
N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 3.71, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]heptyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 44631393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).