1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide

C20H22ClNO4S — CID 41486617

IUPAC1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide
SMILESCCOc1ccccc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H22ClNO4S/c1-2-26-18-8-4-3-7-17(18)22-19(23)20(13-5-6-14-20)27(24,25)16-11-9-15(21)10-12-16/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,23)
InChIKeyISKICJGGYXQTRK-UHFFFAOYSA-N
MW407.92 g/mol
LogP4.46
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 41486617) has the molecular formula C20H22ClNO4S and a molecular weight of 407.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide
PubChem CID41486617
Molecular FormulaC20H22ClNO4S
Molecular Weight407.92 g/mol
Exact Mass407.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide
SMILESCCOc1ccccc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H22ClNO4S/c1-2-26-18-8-4-3-7-17(18)22-19(23)20(13-5-6-14-20)27(24,25)16-11-9-15(21)10-12-16/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,23)
InChIKeyISKICJGGYXQTRK-UHFFFAOYSA-N
XLogP4.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
CID 15999936
1-(4-chlorophenyl)sulfonyl-N-(4-ethylsulfonylphenyl)cyclopentane-1-carboxamide
CID 55496237
1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37486545
N-(5-acetamido-2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55917246
1-(4-chlorophenyl)sulfonyl-N-(3,4,5-trimethoxyphenyl)cyclopentane-1-carboxamide
CID 39675141
1-N'-(5-chloro-2-methylphenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982689
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
N-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 119515163
1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 24624366
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37484665
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 5004457

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide (CID 41486617) is 1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide is CCOc1ccccc1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is ISKICJGGYXQTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4S/c1-2-26-18-8-4-3-7-17(18)22-19(23)20(13-5-6-14-20)27(24,25)16-11-9-15(21)10-12-16/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 41486617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).