N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide

C22H28N2O5S — CID 55584033

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC1CCCC1
InChIInChI=1S/C22H28N2O5S/c1-15(2)24-30(26,27)19-11-8-16(9-12-19)22(25)23-17-10-13-20(28-3)21(14-17)29-18-6-4-5-7-18/h8-15,18,24H,4-7H2,1-3H3,(H,23,25)
InChIKeyXEOUUERXPOACIV-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.96
Rot. Bonds8

About N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55584033) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID55584033
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC1CCCC1
InChIInChI=1S/C22H28N2O5S/c1-15(2)24-30(26,27)19-11-8-16(9-12-19)22(25)23-17-10-13-20(28-3)21(14-17)29-18-6-4-5-7-18/h8-15,18,24H,4-7H2,1-3H3,(H,23,25)
InChIKeyXEOUUERXPOACIV-UHFFFAOYSA-N
XLogP3.96
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27038842
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 31873271
N-(3-cyclopentyloxy-4-methoxyphenyl)furan-3-carboxamide
CID 31872175
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
4-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)benzenesulfonamide
CID 3749500
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide
CID 31873206
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
N-(3-amino-4-methoxyphenyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119420171
N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoyl)benzamide
CID 38455287

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide (CID 55584033) is N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide is COc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is XEOUUERXPOACIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-15(2)24-30(26,27)19-11-8-16(9-12-19)22(25)23-17-10-13-20(28-3)21(14-17)29-18-6-4-5-7-18/h8-15,18,24H,4-7H2,1-3H3,(H,23,25).
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 432.54 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55584033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).