N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide

C24H26N2O7S — CID 71747456

IUPACN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(OCc3cc(OC)ccc3OC)c2)cc1
InChIInChI=1S/C24H26N2O7S/c1-30-19-8-5-16(6-9-19)24(27)25-18-7-11-21(26-34(4,28)29)23(14-18)33-15-17-13-20(31-2)10-12-22(17)32-3/h5-14,26H,15H2,1-4H3,(H,25,27)
InChIKeyFFIDHUYNLVXETI-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.92
Rot. Bonds10

About N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide

N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide (PubChem CID 71747456) has the molecular formula C24H26N2O7S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide
PubChem CID71747456
Molecular FormulaC24H26N2O7S
Molecular Weight486.55 g/mol
Exact Mass486.15
IUPAC NameN-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(OCc3cc(OC)ccc3OC)c2)cc1
InChIInChI=1S/C24H26N2O7S/c1-30-19-8-5-16(6-9-19)24(27)25-18-7-11-21(26-34(4,28)29)23(14-18)33-15-17-13-20(31-2)10-12-22(17)32-3/h5-14,26H,15H2,1-4H3,(H,25,27)
InChIKeyFFIDHUYNLVXETI-UHFFFAOYSA-N
XLogP3.92
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide (CID 71747456) is N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(OCc3cc(OC)ccc3OC)c2)cc1.
What is the InChIKey of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide?
The InChIKey is FFIDHUYNLVXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S/c1-30-19-8-5-16(6-9-19)24(27)25-18-7-11-21(26-34(4,28)29)23(14-18)33-15-17-13-20(31-2)10-12-22(17)32-3/h5-14,26H,15H2,1-4H3,(H,25,27).
What are the key properties of N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide?
N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide has a molecular weight of 486.55 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 71747456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).