N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide

C24H26N2O7S — CID 24635935

IUPACN-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2OC)cc1
InChIInChI=1S/C24H26N2O7S/c1-30-17-8-10-18(11-9-17)33-15-14-24(27)25-21-16-19(12-13-23(21)32-3)34(28,29)26-20-6-4-5-7-22(20)31-2/h4-13,16,26H,14-15H2,1-3H3,(H,25,27)
InChIKeyXPTRTVJSWZFLTR-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.92
Rot. Bonds11

About N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide

N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide (PubChem CID 24635935) has the molecular formula C24H26N2O7S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide
PubChem CID24635935
Molecular FormulaC24H26N2O7S
Molecular Weight486.55 g/mol
Exact Mass486.15
IUPAC NameN-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2OC)cc1
InChIInChI=1S/C24H26N2O7S/c1-30-17-8-10-18(11-9-17)33-15-14-24(27)25-21-16-19(12-13-23(21)32-3)34(28,29)26-20-6-4-5-7-22(20)31-2/h4-13,16,26H,14-15H2,1-3H3,(H,25,27)
InChIKeyXPTRTVJSWZFLTR-UHFFFAOYSA-N
XLogP3.92
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
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-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide (CID 24635935) is N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2OC)cc1.
What is the InChIKey of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide?
The InChIKey is XPTRTVJSWZFLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S/c1-30-17-8-10-18(11-9-17)33-15-14-24(27)25-21-16-19(12-13-23(21)32-3)34(28,29)26-20-6-4-5-7-22(20)31-2/h4-13,16,26H,14-15H2,1-3H3,(H,25,27).
What are the key properties of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide?
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide has a molecular weight of 486.55 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 24635935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).