N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide

C21H24N2O5S — CID 16595027

IUPACN-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C21H24N2O5S/c1-15(24)22-16-10-11-19(28-2)18(14-16)23-20(25)21(12-6-7-13-21)29(26,27)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVKPJEAKTXHRAPD-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.38
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide

N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide (PubChem CID 16595027) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide
PubChem CID16595027
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1
InChIInChI=1S/C21H24N2O5S/c1-15(24)22-16-10-11-19(28-2)18(14-16)23-20(25)21(12-6-7-13-21)29(26,27)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVKPJEAKTXHRAPD-UHFFFAOYSA-N
XLogP3.38
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 24592826
N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55917246
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate
CID 30473775
1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide
CID 39675141
N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 7938360
1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 16590699
N-[4-methoxy-3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]acetamide
CID 30286465
N-(5-acetamido-2-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 26243035
3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid
CID 75414478
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755
1-(benzenesulfonyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 24593042

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide (CID 16595027) is N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide?
The InChIKey is VKPJEAKTXHRAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-15(24)22-16-10-11-19(28-2)18(14-16)23-20(25)21(12-6-7-13-21)29(26,27)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 16595027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).