N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide

C27H31NO5S — CID 53324810

IUPACN-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide
SMILESCOC1(c2cccc(CN(c3ccccc3OCc3ccccc3)S(C)(=O)=O)c2)CCOCC1
InChIInChI=1S/C27H31NO5S/c1-31-27(15-17-32-18-16-27)24-12-8-11-23(19-24)20-28(34(2,29)30)25-13-6-7-14-26(25)33-21-22-9-4-3-5-10-22/h3-14,19H,15-18,20-21H2,1-2H3
InChIKeyQQVPHDTXMGWCCI-UHFFFAOYSA-N
MW481.61 g/mol
LogP4.88
Rot. Bonds9

About N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide

N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide (PubChem CID 53324810) has the molecular formula C27H31NO5S and a molecular weight of 481.61 g/mol. Its IUPAC name is N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide
PubChem CID53324810
Molecular FormulaC27H31NO5S
Molecular Weight481.61 g/mol
Exact Mass481.19
IUPAC NameN-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide
SMILESCOC1(c2cccc(CN(c3ccccc3OCc3ccccc3)S(C)(=O)=O)c2)CCOCC1
InChIInChI=1S/C27H31NO5S/c1-31-27(15-17-32-18-16-27)24-12-8-11-23(19-24)20-28(34(2,29)30)25-13-6-7-14-26(25)33-21-22-9-4-3-5-10-22/h3-14,19H,15-18,20-21H2,1-2H3
InChIKeyQQVPHDTXMGWCCI-UHFFFAOYSA-N
XLogP4.88
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.61
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide with MolForge

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Related Compounds

N-(4-chloro-2-phenylmethoxyphenyl)-N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]methanesulfonamide
CID 53322985
4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane
CID 10427847
N-benzyl-N-(2-methoxyphenyl)methanesulfonamide
CID 6459309
2-[2-[[3-(4-methoxyoxan-4-yl)phenyl]methoxy]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 22246253
N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide
CID 91359794
4-[3-(chloromethyl)phenyl]-4-ethoxyoxane
CID 15780552
4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane
CID 14985899
3-[2-[3-(4-methoxyoxan-4-yl)anilino]-2-phenylethyl]-1,1-dimethylurea
CID 19925619
2-[3-(4-methoxyoxan-4-yl)phenoxy]-1-[1-(4-methylsulfonylphenyl)-5-phenyl-3H-pyrazol-2-yl]ethanone
CID 22246093
[4-[methylsulfonyl-[(4-phenylmethoxyphenyl)methyl]amino]phenyl] methanesulfonate
CID 23508505
N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methanesulfonamide
CID 19785597
N-[4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]propane-1-sulfonamide
CID 57117829

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide?
The IUPAC name of N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide (CID 53324810) is N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide is COC1(c2cccc(CN(c3ccccc3OCc3ccccc3)S(C)(=O)=O)c2)CCOCC1.
What is the InChIKey of N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide?
The InChIKey is QQVPHDTXMGWCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO5S/c1-31-27(15-17-32-18-16-27)24-12-8-11-23(19-24)20-28(34(2,29)30)25-13-6-7-14-26(25)33-21-22-9-4-3-5-10-22/h3-14,19H,15-18,20-21H2,1-2H3.
What are the key properties of N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide?
N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide has a molecular weight of 481.61 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 53324810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).