4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide

C20H25NO5S — CID 171909560

IUPAC4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
SMILESCOCc1ccc(-c2cc(S(=O)(=O)NCC3(C)COC3)ccc2OC)cc1
InChIInChI=1S/C20H25NO5S/c1-20(13-26-14-20)12-21-27(22,23)17-8-9-19(25-3)18(10-17)16-6-4-15(5-7-16)11-24-2/h4-10,21H,11-14H2,1-3H3
InChIKeyVBAARWMUNMLAEM-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.82
Rot. Bonds8

About 4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide

4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide (PubChem CID 171909560) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
PubChem CID171909560
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Name4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
SMILESCOCc1ccc(-c2cc(S(=O)(=O)NCC3(C)COC3)ccc2OC)cc1
InChIInChI=1S/C20H25NO5S/c1-20(13-26-14-20)12-21-27(22,23)17-8-9-19(25-3)18(10-17)16-6-4-15(5-7-16)11-24-2/h4-10,21H,11-14H2,1-3H3
InChIKeyVBAARWMUNMLAEM-UHFFFAOYSA-N
XLogP2.82
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723853
N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
CID 118472177
N-(2-hydroxyethyl)-4-(5-hydroxy-2-methoxyphenyl)benzenesulfonamide
CID 166288259
2-chloro-4-[(3-methyloxetan-3-yl)methylsulfamoyl]benzoic acid
CID 107090177
2-methoxy-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzamide;hydrochloride
CID 120720413
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxybenzenesulfonamide
CID 115454056
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 126512349
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 47959613
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736435
3-bromo-4-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107270998

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide (CID 171909560) is 4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide is COCc1ccc(-c2cc(S(=O)(=O)NCC3(C)COC3)ccc2OC)cc1.
What is the InChIKey of 4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide?
The InChIKey is VBAARWMUNMLAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-20(13-26-14-20)12-21-27(22,23)17-8-9-19(25-3)18(10-17)16-6-4-15(5-7-16)11-24-2/h4-10,21H,11-14H2,1-3H3.
What are the key properties of 4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide?
4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[4-(methoxymethyl)phenyl]-N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 171909560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).