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

C18H28N2O3S — CID 44631357

IUPACN-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide
SMILESCC[C@@H]1COC(C(CCN(C)S(=O)(=O)c2ccccc2)C(C)C)=N1
InChIInChI=1S/C18H28N2O3S/c1-5-15-13-23-18(19-15)17(14(2)3)11-12-20(4)24(21,22)16-9-7-6-8-10-16/h6-10,14-15,17H,5,11-13H2,1-4H3/t15-,17?/m1/s1
InChIKeyBLNVCCLSJUHWSM-LDCVWXEPSA-N
MW352.50 g/mol
LogP3.18
Rot. Bonds8

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

N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide (PubChem CID 44631357) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide
PubChem CID44631357
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide
SMILESCC[C@@H]1COC(C(CCN(C)S(=O)(=O)c2ccccc2)C(C)C)=N1
InChIInChI=1S/C18H28N2O3S/c1-5-15-13-23-18(19-15)17(14(2)3)11-12-20(4)24(21,22)16-9-7-6-8-10-16/h6-10,14-15,17H,5,11-13H2,1-4H3/t15-,17?/m1/s1
InChIKeyBLNVCCLSJUHWSM-LDCVWXEPSA-N
XLogP3.18
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide (CID 44631357) is N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide is CC[C@@H]1COC(C(CCN(C)S(=O)(=O)c2ccccc2)C(C)C)=N1.
What is the InChIKey of N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide?
The InChIKey is BLNVCCLSJUHWSM-LDCVWXEPSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-5-15-13-23-18(19-15)17(14(2)3)11-12-20(4)24(21,22)16-9-7-6-8-10-16/h6-10,14-15,17H,5,11-13H2,1-4H3/t15-,17?/m1/s1.
What are the key properties of N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide?
N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-methylpentyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 44631357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).