3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide

C17H26N2O6S — CID 42851273

IUPAC3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCOc1ccc(OC)c(C2C(S(=O)(=O)NCC3CCCO3)CON2C)c1
InChIInChI=1S/C17H26N2O6S/c1-19-17(14-9-12(22-2)6-7-15(14)23-3)16(11-25-19)26(20,21)18-10-13-5-4-8-24-13/h6-7,9,13,16-18H,4-5,8,10-11H2,1-3H3
InChIKeyLRJXTNMFDUZHIC-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.09
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide

3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 42851273) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID42851273
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC Name3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCOc1ccc(OC)c(C2C(S(=O)(=O)NCC3CCCO3)CON2C)c1
InChIInChI=1S/C17H26N2O6S/c1-19-17(14-9-12(22-2)6-7-15(14)23-3)16(11-25-19)26(20,21)18-10-13-5-4-8-24-13/h6-7,9,13,16-18H,4-5,8,10-11H2,1-3H3
InChIKeyLRJXTNMFDUZHIC-UHFFFAOYSA-N
XLogP1.09
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98633724
2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
CID 46043903
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 850067
2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide
CID 110673780
2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981250
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991374
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide (CID 42851273) is 3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide is COc1ccc(OC)c(C2C(S(=O)(=O)NCC3CCCO3)CON2C)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is LRJXTNMFDUZHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-19-17(14-9-12(22-2)6-7-15(14)23-3)16(11-25-19)26(20,21)18-10-13-5-4-8-24-13/h6-7,9,13,16-18H,4-5,8,10-11H2,1-3H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide?
3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 386.47 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42851273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).