1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide

C16H24N2O5S — CID 169084356

IUPAC1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide
SMILESCCCCC(NS(=O)(=O)Cc1noc2ccccc12)C(OC)OC
InChIInChI=1S/C16H24N2O5S/c1-4-5-9-13(16(21-2)22-3)18-24(19,20)11-14-12-8-6-7-10-15(12)23-17-14/h6-8,10,13,16,18H,4-5,9,11H2,1-3H3
InChIKeyWOSANBWARMJNAT-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.42
Rot. Bonds10

About 1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide (PubChem CID 169084356) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide
PubChem CID169084356
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide
SMILESCCCCC(NS(=O)(=O)Cc1noc2ccccc12)C(OC)OC
InChIInChI=1S/C16H24N2O5S/c1-4-5-9-13(16(21-2)22-3)18-24(19,20)11-14-12-8-6-7-10-15(12)23-17-14/h6-8,10,13,16,18H,4-5,9,11H2,1-3H3
InChIKeyWOSANBWARMJNAT-UHFFFAOYSA-N
XLogP2.42
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide (CID 169084356) is 1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide is CCCCC(NS(=O)(=O)Cc1noc2ccccc12)C(OC)OC.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide?
The InChIKey is WOSANBWARMJNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-4-5-9-13(16(21-2)22-3)18-24(19,20)11-14-12-8-6-7-10-15(12)23-17-14/h6-8,10,13,16,18H,4-5,9,11H2,1-3H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide has a molecular weight of 356.44 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(1,1-dimethoxyhexan-2-yl)methanesulfonamide is sourced from PubChem (CID 169084356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).