N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide

C22H28N2O5S — CID 31873206

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)c1
InChIInChI=1S/C22H28N2O5S/c1-3-13-30(26,27)24-18-8-6-7-16(14-18)22(25)23-17-11-12-20(28-2)21(15-17)29-19-9-4-5-10-19/h6-8,11-12,14-15,19,24H,3-5,9-10,13H2,1-2H3,(H,23,25)
InChIKeyWMRWJBOMFAUCKS-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.42
Rot. Bonds9

About N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide (PubChem CID 31873206) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide
PubChem CID31873206
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)c1
InChIInChI=1S/C22H28N2O5S/c1-3-13-30(26,27)24-18-8-6-7-16(14-18)22(25)23-17-11-12-20(28-2)21(15-17)29-19-9-4-5-10-19/h6-8,11-12,14-15,19,24H,3-5,9-10,13H2,1-2H3,(H,23,25)
InChIKeyWMRWJBOMFAUCKS-UHFFFAOYSA-N
XLogP4.42
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 31873271
2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 120530673
2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide
CID 55978369
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55584033
N-(3-cyclopentyloxy-4-methoxyphenyl)furan-3-carboxamide
CID 31872175
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
CID 47078326
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide (CID 31873206) is N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(OC)c(OC3CCCC3)c2)c1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide?
The InChIKey is WMRWJBOMFAUCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-3-13-30(26,27)24-18-8-6-7-16(14-18)22(25)23-17-11-12-20(28-2)21(15-17)29-19-9-4-5-10-19/h6-8,11-12,14-15,19,24H,3-5,9-10,13H2,1-2H3,(H,23,25).
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide has a molecular weight of 432.54 g/mol, XLogP of 4.42, 9 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)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 31873206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).