N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide

C24H26N2O5S — CID 55867643

IUPACN-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide
SMILESCCOCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H26N2O5S/c1-2-30-16-15-25-24(27)20-9-6-10-23(17-20)32(28,29)26-21-11-13-22(14-12-21)31-18-19-7-4-3-5-8-19/h3-14,17,26H,2,15-16,18H2,1H3,(H,25,27)
InChIKeyGEMMMUHCERFCRH-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.83
Rot. Bonds11

About N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide

N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide (PubChem CID 55867643) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide
PubChem CID55867643
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide
SMILESCCOCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H26N2O5S/c1-2-30-16-15-25-24(27)20-9-6-10-23(17-20)32(28,29)26-21-11-13-22(14-12-21)31-18-19-7-4-3-5-8-19/h3-14,17,26H,2,15-16,18H2,1H3,(H,25,27)
InChIKeyGEMMMUHCERFCRH-UHFFFAOYSA-N
XLogP3.83
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.83
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-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55944966
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 55749716
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542716
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-(3-ethoxypropyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 26776167
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3916378

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide (CID 55867643) is N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide is CCOCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is GEMMMUHCERFCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-2-30-16-15-25-24(27)20-9-6-10-23(17-20)32(28,29)26-21-11-13-22(14-12-21)31-18-19-7-4-3-5-8-19/h3-14,17,26H,2,15-16,18H2,1H3,(H,25,27).
What are the key properties of N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide?
N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 454.55 g/mol, XLogP of 3.83, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55867643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).