N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide

C20H20Cl2N2O4S — CID 55917246

IUPACN-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1
InChIInChI=1S/C20H20Cl2N2O4S/c1-13(25)23-15-6-9-17(22)18(12-15)24-19(26)20(10-2-3-11-20)29(27,28)16-7-4-14(21)5-8-16/h4-9,12H,2-3,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyOWDMHLLANQMVKG-UHFFFAOYSA-N
MW455.36 g/mol
LogP4.68
Rot. Bonds5

About N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide

N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide (PubChem CID 55917246) has the molecular formula C20H20Cl2N2O4S and a molecular weight of 455.36 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
PubChem CID55917246
Molecular FormulaC20H20Cl2N2O4S
Molecular Weight455.36 g/mol
Exact Mass454.05
IUPAC NameN-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1
InChIInChI=1S/C20H20Cl2N2O4S/c1-13(25)23-15-6-9-17(22)18(12-15)24-19(26)20(10-2-3-11-20)29(27,28)16-7-4-14(21)5-8-16/h4-9,12H,2-3,10-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyOWDMHLLANQMVKG-UHFFFAOYSA-N
XLogP4.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-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-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
N-(5-acetamido-2-methoxyphenyl)-1-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 16595027
N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
CID 15999936
1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide
CID 39675141
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)cyclopentane-1-carboxamide
CID 51277668
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 5189805
N-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 119515163
1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide
CID 41486617
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 15993585
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide (CID 55917246) is N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide is CC(=O)Nc1ccc(Cl)c(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
The InChIKey is OWDMHLLANQMVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4S/c1-13(25)23-15-6-9-17(22)18(12-15)24-19(26)20(10-2-3-11-20)29(27,28)16-7-4-14(21)5-8-16/h4-9,12H,2-3,10-11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide has a molecular weight of 455.36 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 55917246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).