4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide

C22H29NO5S — CID 27451012

IUPAC4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
SMILESCOc1ccccc1C1(CNS(=O)(=O)c2cc(C)c(OC)c(C)c2)CCOCC1
InChIInChI=1S/C22H29NO5S/c1-16-13-18(14-17(2)21(16)27-4)29(24,25)23-15-22(9-11-28-12-10-22)19-7-5-6-8-20(19)26-3/h5-8,13-14,23H,9-12,15H2,1-4H3
InChIKeyVZKSJMUFEIDLAM-UHFFFAOYSA-N
MW419.54 g/mol
LogP3.35
Rot. Bonds7

About 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide

4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide (PubChem CID 27451012) has the molecular formula C22H29NO5S and a molecular weight of 419.54 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
PubChem CID27451012
Molecular FormulaC22H29NO5S
Molecular Weight419.54 g/mol
Exact Mass419.18
IUPAC Name4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
SMILESCOc1ccccc1C1(CNS(=O)(=O)c2cc(C)c(OC)c(C)c2)CCOCC1
InChIInChI=1S/C22H29NO5S/c1-16-13-18(14-17(2)21(16)27-4)29(24,25)23-15-22(9-11-28-12-10-22)19-7-5-6-8-20(19)26-3/h5-8,13-14,23H,9-12,15H2,1-4H3
InChIKeyVZKSJMUFEIDLAM-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide (CID 27451012) is 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide is COc1ccccc1C1(CNS(=O)(=O)c2cc(C)c(OC)c(C)c2)CCOCC1.
What is the InChIKey of 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is VZKSJMUFEIDLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO5S/c1-16-13-18(14-17(2)21(16)27-4)29(24,25)23-15-22(9-11-28-12-10-22)19-7-5-6-8-20(19)26-3/h5-8,13-14,23H,9-12,15H2,1-4H3.
What are the key properties of 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide?
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-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 4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 27451012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).