3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide

C21H20N2O5S — CID 4954916

IUPAC3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C21H20N2O5S/c22-29(25,26)20-11-9-17(10-12-20)23-21(24)16-5-4-8-19(15-16)28-14-13-27-18-6-2-1-3-7-18/h1-12,15H,13-14H2,(H,23,24)(H2,22,25,26)
InChIKeyCFTJWTBQOXDMTC-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.04
Rot. Bonds8

About 3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide

3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide (PubChem CID 4954916) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
PubChem CID4954916
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C21H20N2O5S/c22-29(25,26)20-11-9-17(10-12-20)23-21(24)16-5-4-8-19(15-16)28-14-13-27-18-6-2-1-3-7-18/h1-12,15H,13-14H2,(H,23,24)(H2,22,25,26)
InChIKeyCFTJWTBQOXDMTC-UHFFFAOYSA-N
XLogP3.04
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-(2-phenylethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17134594
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4954948
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4955000
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide
CID 154762615
N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17230251
3-(2-phenoxyethoxy)-N-[4-[9-[4-[[3-(2-phenoxyethoxy)benzoyl]amino]phenyl]fluoren-9-yl]phenyl]benzamide
CID 4955553

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide (CID 4954916) is 3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1.
What is the InChIKey of 3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is CFTJWTBQOXDMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c22-29(25,26)20-11-9-17(10-12-20)23-21(24)16-5-4-8-19(15-16)28-14-13-27-18-6-2-1-3-7-18/h1-12,15H,13-14H2,(H,23,24)(H2,22,25,26).
What are the key properties of 3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide?
3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 412.47 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 4954916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).