3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide

C26H30N2O4S — CID 4832234

IUPAC3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2OC)c1
InChIInChI=1S/C26H30N2O4S/c1-4-11-20(2)27-26(29)22-14-10-15-23(18-22)33(30,31)28(19-21-12-6-5-7-13-21)24-16-8-9-17-25(24)32-3/h5-10,12-18,20H,4,11,19H2,1-3H3,(H,27,29)
InChIKeyUUBXWGOTOLFEIT-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.01
Rot. Bonds10

About 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide

3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide (PubChem CID 4832234) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
PubChem CID4832234
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2OC)c1
InChIInChI=1S/C26H30N2O4S/c1-4-11-20(2)27-26(29)22-14-10-15-23(18-22)33(30,31)28(19-21-12-6-5-7-13-21)24-16-8-9-17-25(24)32-3/h5-10,12-18,20H,4,11,19H2,1-3H3,(H,27,29)
InChIKeyUUBXWGOTOLFEIT-UHFFFAOYSA-N
XLogP5.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2433943
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide
CID 2469146
phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate
CID 2668410
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30160867
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 24982454
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2079702
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771472
3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
CID 33098006
3-[benzyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 35810494
ethyl 1-[3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate
CID 24981827
ethyl (3S)-1-[3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-3-carboxylate
CID 93472681

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
The IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide (CID 4832234) is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
The canonical SMILES for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2OC)c1.
What is the InChIKey of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
The InChIKey is UUBXWGOTOLFEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-4-11-20(2)27-26(29)22-14-10-15-23(18-22)33(30,31)28(19-21-12-6-5-7-13-21)24-16-8-9-17-25(24)32-3/h5-10,12-18,20H,4,11,19H2,1-3H3,(H,27,29).
What are the key properties of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide has a molecular weight of 466.60 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 4832234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).