N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

C21H28N2O6S — CID 55407924

IUPACN-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOCCOCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C
InChIInChI=1S/C21H28N2O6S/c1-16-5-10-19(30(25,26)23-17-6-8-18(28-3)9-7-17)15-20(16)21(24)22-11-4-12-29-14-13-27-2/h5-10,15,23H,4,11-14H2,1-3H3,(H,22,24)
InChIKeyGKCBVWISHDWCLG-UHFFFAOYSA-N
MW436.53 g/mol
LogP2.59
Rot. Bonds12

About N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 55407924) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
PubChem CID55407924
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOCCOCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C
InChIInChI=1S/C21H28N2O6S/c1-16-5-10-19(30(25,26)23-17-6-8-18(28-3)9-7-17)15-20(16)21(24)22-11-4-12-29-14-13-27-2/h5-10,15,23H,4,11-14H2,1-3H3,(H,22,24)
InChIKeyGKCBVWISHDWCLG-UHFFFAOYSA-N
XLogP2.59
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 52.59
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

5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
N-(3-methoxy-2-methylpropyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 47080226
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55869875
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55455309
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55844976
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396261
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-[3-(2-methoxyethoxy)propyl]-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 55408015
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
N-[(2S)-1-aminopropan-2-yl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 120505929

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (CID 55407924) is N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is COCCOCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is GKCBVWISHDWCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-16-5-10-19(30(25,26)23-17-6-8-18(28-3)9-7-17)15-20(16)21(24)22-11-4-12-29-14-13-27-2/h5-10,15,23H,4,11-14H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 436.53 g/mol, XLogP of 2.59, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 55407924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).