1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide

C20H23ClN2O4S — CID 37486545

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
SMILESCCOc1ncccc1CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H23ClN2O4S/c1-2-27-18-15(6-5-13-22-18)14-23-19(24)20(11-3-4-12-20)28(25,26)17-9-7-16(21)8-10-17/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,24)
InChIKeyFOVSPPZMESUZMI-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.54
Rot. Bonds7

About 1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide (PubChem CID 37486545) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
PubChem CID37486545
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
SMILESCCOc1ncccc1CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H23ClN2O4S/c1-2-27-18-15(6-5-13-22-18)14-23-19(24)20(11-3-4-12-20)28(25,26)17-9-7-16(21)8-10-17/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,24)
InChIKeyFOVSPPZMESUZMI-UHFFFAOYSA-N
XLogP3.54
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide (CID 37486545) is 1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide is CCOc1ncccc1CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is FOVSPPZMESUZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-2-27-18-15(6-5-13-22-18)14-23-19(24)20(11-3-4-12-20)28(25,26)17-9-7-16(21)8-10-17/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,24).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 422.93 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 37486545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).