3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide

C24H25N3O6S — CID 4014857

IUPAC3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)c3cccc(OC)c3)ccc2C)cc1
InChIInChI=1S/C24H25N3O6S/c1-16-7-8-19(14-22(16)34(30,31)27-18-9-11-20(32-2)12-10-18)26-23(28)15-25-24(29)17-5-4-6-21(13-17)33-3/h4-14,27H,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyPFAMKNZCQVOWBN-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.18
Rot. Bonds9

About 3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide

3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide (PubChem CID 4014857) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
PubChem CID4014857
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)c3cccc(OC)c3)ccc2C)cc1
InChIInChI=1S/C24H25N3O6S/c1-16-7-8-19(14-22(16)34(30,31)27-18-9-11-20(32-2)12-10-18)26-23(28)15-25-24(29)17-5-4-6-21(13-17)33-3/h4-14,27H,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyPFAMKNZCQVOWBN-UHFFFAOYSA-N
XLogP3.18
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide (CID 4014857) is 3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)c3cccc(OC)c3)ccc2C)cc1.
What is the InChIKey of 3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide?
The InChIKey is PFAMKNZCQVOWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-16-7-8-19(14-22(16)34(30,31)27-18-9-11-20(32-2)12-10-18)26-23(28)15-25-24(29)17-5-4-6-21(13-17)33-3/h4-14,27H,15H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide?
3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide has a molecular weight of 483.55 g/mol, XLogP of 3.18, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4014857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).