2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide

C22H29NO5S — CID 27450504

IUPAC2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3cc(C)c(C)cc3OC)CCOCC2)cc1
InChIInChI=1S/C22H29NO5S/c1-16-13-20(27-4)21(14-17(16)2)29(24,25)23-15-22(9-11-28-12-10-22)18-5-7-19(26-3)8-6-18/h5-8,13-14,23H,9-12,15H2,1-4H3
InChIKeyXFCHWEGRDMBDJQ-UHFFFAOYSA-N
MW419.54 g/mol
LogP3.35
Rot. Bonds7

About 2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide

2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide (PubChem CID 27450504) has the molecular formula C22H29NO5S and a molecular weight of 419.54 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide
PubChem CID27450504
Molecular FormulaC22H29NO5S
Molecular Weight419.54 g/mol
Exact Mass419.18
IUPAC Name2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3cc(C)c(C)cc3OC)CCOCC2)cc1
InChIInChI=1S/C22H29NO5S/c1-16-13-20(27-4)21(14-17(16)2)29(24,25)23-15-22(9-11-28-12-10-22)18-5-7-19(26-3)8-6-18/h5-8,13-14,23H,9-12,15H2,1-4H3
InChIKeyXFCHWEGRDMBDJQ-UHFFFAOYSA-N
XLogP3.35
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450418
3-chloro-4-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450563
2,4,5-trimethyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450272
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,4-dimethylbenzenesulfonamide
CID 42269391
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 42269408
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 27450599
4-methoxy-2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944339
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27451515
2-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-5-methylbenzenesulfonamide
CID 27451528
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27450983
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113090862
4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269363

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide (CID 27450504) is 2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide is COc1ccc(C2(CNS(=O)(=O)c3cc(C)c(C)cc3OC)CCOCC2)cc1.
What is the InChIKey of 2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide?
The InChIKey is XFCHWEGRDMBDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5S/c1-16-13-20(27-4)21(14-17(16)2)29(24,25)23-15-22(9-11-28-12-10-22)18-5-7-19(26-3)8-6-18/h5-8,13-14,23H,9-12,15H2,1-4H3.
What are the key properties of 2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide?
2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide has a molecular weight of 419.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 27450504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).