N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide

C24H26N2O5S — CID 2535092

IUPACN-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCCOc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-18-5-4-6-23(17-18)31-16-15-30-22-11-9-21(10-12-22)26(3)32(28,29)24-13-7-20(8-14-24)25-19(2)27/h4-14,17H,15-16H2,1-3H3,(H,25,27)
InChIKeyMGHZVWBPHLCQHG-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.24
Rot. Bonds9

About N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 2535092) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID2535092
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCCOc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-18-5-4-6-23(17-18)31-16-15-30-22-11-9-21(10-12-22)26(3)32(28,29)24-13-7-20(8-14-24)25-19(2)27/h4-14,17H,15-16H2,1-3H3,(H,25,27)
InChIKeyMGHZVWBPHLCQHG-UHFFFAOYSA-N
XLogP4.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide (CID 2535092) is N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCCOc3cccc(C)c3)cc2)cc1.
What is the InChIKey of N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is MGHZVWBPHLCQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-18-5-4-6-23(17-18)31-16-15-30-22-11-9-21(10-12-22)26(3)32(28,29)24-13-7-20(8-14-24)25-19(2)27/h4-14,17H,15-16H2,1-3H3,(H,25,27).
What are the key properties of N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 454.55 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2535092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).