N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide

C17H22N2O6S2 — CID 30449102

IUPACN-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(Cc2ccc(OC)c(NS(C)(=O)=O)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C17H22N2O6S2/c1-24-16-7-5-12(10-14(16)18-26(3,20)21)9-13-6-8-17(25-2)15(11-13)19-27(4,22)23/h5-8,10-11,18-19H,9H2,1-4H3
InChIKeyAYOISLHAVIFVDE-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.04
Rot. Bonds8

About N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide

N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide (PubChem CID 30449102) has the molecular formula C17H22N2O6S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide
PubChem CID30449102
Molecular FormulaC17H22N2O6S2
Molecular Weight414.51 g/mol
Exact Mass414.09
IUPAC NameN-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(Cc2ccc(OC)c(NS(C)(=O)=O)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C17H22N2O6S2/c1-24-16-7-5-12(10-14(16)18-26(3,20)21)9-13-6-8-17(25-2)15(11-13)19-27(4,22)23/h5-8,10-11,18-19H,9H2,1-4H3
InChIKeyAYOISLHAVIFVDE-UHFFFAOYSA-N
XLogP2.04
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide (CID 30449102) is N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide is COc1ccc(Cc2ccc(OC)c(NS(C)(=O)=O)c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide?
The InChIKey is AYOISLHAVIFVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S2/c1-24-16-7-5-12(10-14(16)18-26(3,20)21)9-13-6-8-17(25-2)15(11-13)19-27(4,22)23/h5-8,10-11,18-19H,9H2,1-4H3.
What are the key properties of N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide?
N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide has a molecular weight of 414.51 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(methanesulfonamido)-4-methoxyphenyl]methyl]-2-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 30449102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).