3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide

C19H22N2O4S — CID 49362888

IUPAC3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C19H22N2O4S/c22-19(11-14-26(23,24)18-3-1-2-4-18)21-15-5-7-16(8-6-15)25-17-9-12-20-13-10-17/h5-10,12-13,18H,1-4,11,14H2,(H,21,22)
InChIKeyJVPPHGBOTPGIHV-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.56
Rot. Bonds7

About 3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide

3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide (PubChem CID 49362888) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide
PubChem CID49362888
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C19H22N2O4S/c22-19(11-14-26(23,24)18-3-1-2-4-18)21-15-5-7-16(8-6-15)25-17-9-12-20-13-10-17/h5-10,12-13,18H,1-4,11,14H2,(H,21,22)
InChIKeyJVPPHGBOTPGIHV-UHFFFAOYSA-N
XLogP3.56
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 47045019
N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide
CID 51124450
N-(4-pyridin-4-yloxyphenyl)cyclobutanecarboxamide
CID 49363610
N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide
CID 55920389
3-cyclopentylsulfonyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 55864853
3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55854748
3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 55756704
3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 55889543
N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 47047282
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 119867855
N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide
CID 119421581
3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47041448

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide (CID 49362888) is 3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide is O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide?
The InChIKey is JVPPHGBOTPGIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-19(11-14-26(23,24)18-3-1-2-4-18)21-15-5-7-16(8-6-15)25-17-9-12-20-13-10-17/h5-10,12-13,18H,1-4,11,14H2,(H,21,22).
What are the key properties of 3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide?
3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide has a molecular weight of 374.46 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-(4-pyridin-4-yloxyphenyl)propanamide is sourced from PubChem (CID 49362888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).