N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide

C25H28N2O6S — CID 42999581

IUPACN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C25H28N2O6S/c1-19(18-31-2)27-34(29,30)22-14-12-20(13-15-22)26-25(28)23-10-6-7-11-24(23)33-17-16-32-21-8-4-3-5-9-21/h3-15,19,27H,16-18H2,1-2H3,(H,26,28)
InChIKeyDBBVMZWFCBNWNM-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.71
Rot. Bonds12

About N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide (PubChem CID 42999581) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
PubChem CID42999581
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C25H28N2O6S/c1-19(18-31-2)27-34(29,30)22-14-12-20(13-15-22)26-25(28)23-10-6-7-11-24(23)33-17-16-32-21-8-4-3-5-9-21/h3-15,19,27H,16-18H2,1-2H3,(H,26,28)
InChIKeyDBBVMZWFCBNWNM-UHFFFAOYSA-N
XLogP3.71
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 43007962
2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4954384
2-(2-phenylethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 19628144
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954263
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
2-phenoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 8752850
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide
CID 39948388
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
CID 17355406
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954338

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide (CID 42999581) is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide?
The InChIKey is DBBVMZWFCBNWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-19(18-31-2)27-34(29,30)22-14-12-20(13-15-22)26-25(28)23-10-6-7-11-24(23)33-17-16-32-21-8-4-3-5-9-21/h3-15,19,27H,16-18H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide?
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide has a molecular weight of 484.57 g/mol, XLogP of 3.71, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 42999581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).