N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide

C16H24N2O6S — CID 122664731

IUPACN-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide
SMILESCOc1cc(C2=N[C@@H](C(C)C)CO2)c(NS(C)(=O)=O)c(OC)c1OC
InChIInChI=1S/C16H24N2O6S/c1-9(2)11-8-24-16(17-11)10-7-12(21-3)14(22-4)15(23-5)13(10)18-25(6,19)20/h7,9,11,18H,8H2,1-6H3/t11-/m1/s1
InChIKeyBCFDBKHKZOTTRJ-LLVKDONJSA-N
MW372.44 g/mol
LogP1.89
Rot. Bonds7

About N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide

N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide (PubChem CID 122664731) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide
PubChem CID122664731
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC NameN-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide
SMILESCOc1cc(C2=N[C@@H](C(C)C)CO2)c(NS(C)(=O)=O)c(OC)c1OC
InChIInChI=1S/C16H24N2O6S/c1-9(2)11-8-24-16(17-11)10-7-12(21-3)14(22-4)15(23-5)13(10)18-25(6,19)20/h7,9,11,18H,8H2,1-6H3/t11-/m1/s1
InChIKeyBCFDBKHKZOTTRJ-LLVKDONJSA-N
XLogP1.89
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide (CID 122664731) is N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide is COc1cc(C2=N[C@@H](C(C)C)CO2)c(NS(C)(=O)=O)c(OC)c1OC.
What is the InChIKey of N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
The InChIKey is BCFDBKHKZOTTRJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-9(2)11-8-24-16(17-11)10-7-12(21-3)14(22-4)15(23-5)13(10)18-25(6,19)20/h7,9,11,18H,8H2,1-6H3/t11-/m1/s1.
What are the key properties of N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide?
N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide has a molecular weight of 372.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3,4-trimethoxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 122664731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).