4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide

C24H25N3O7S — CID 3875803

IUPAC4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CNC(=O)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H25N3O7S/c1-32-18-8-4-16(5-9-18)24(29)25-15-23(28)26-21-14-20(12-13-22(21)34-3)35(30,31)27-17-6-10-19(33-2)11-7-17/h4-14,27H,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyXHWSDNRGFYHDOX-UHFFFAOYSA-N
MW499.55 g/mol
LogP2.88
Rot. Bonds10

About 4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide

4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide (PubChem CID 3875803) has the molecular formula C24H25N3O7S and a molecular weight of 499.55 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide
PubChem CID3875803
Molecular FormulaC24H25N3O7S
Molecular Weight499.55 g/mol
Exact Mass499.14
IUPAC Name4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CNC(=O)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H25N3O7S/c1-32-18-8-4-16(5-9-18)24(29)25-15-23(28)26-21-14-20(12-13-22(21)34-3)35(30,31)27-17-6-10-19(33-2)11-7-17/h4-14,27H,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyXHWSDNRGFYHDOX-UHFFFAOYSA-N
XLogP2.88
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide (CID 3875803) is 4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CNC(=O)c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide?
The InChIKey is XHWSDNRGFYHDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O7S/c1-32-18-8-4-16(5-9-18)24(29)25-15-23(28)26-21-14-20(12-13-22(21)34-3)35(30,31)27-17-6-10-19(33-2)11-7-17/h4-14,27H,15H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide?
4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide has a molecular weight of 499.55 g/mol, XLogP of 2.88, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3875803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).