3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide

C19H25N3O4S — CID 55854748

IUPAC3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C19H25N3O4S/c23-19(9-14-27(24,25)18-7-1-2-8-18)21-16-5-3-6-17(15-16)26-13-12-22-11-4-10-20-22/h3-6,10-11,15,18H,1-2,7-9,12-14H2,(H,21,23)
InChIKeyFTJDFGXEOOETGH-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.65
Rot. Bonds9

About 3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide

3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide (PubChem CID 55854748) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
PubChem CID55854748
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C19H25N3O4S/c23-19(9-14-27(24,25)18-7-1-2-8-18)21-16-5-3-6-17(15-16)26-13-12-22-11-4-10-20-22/h3-6,10-11,15,18H,1-2,7-9,12-14H2,(H,21,23)
InChIKeyFTJDFGXEOOETGH-UHFFFAOYSA-N
XLogP2.65
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-phenylfuran-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55767669
4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide
CID 55766765
3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55767382
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
CID 55833259
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide
CID 87027340
N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide
CID 86804269
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55854482
1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55836595
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 95157995
2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55881225

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide (CID 55854748) is 3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide is O=C(CCS(=O)(=O)C1CCCC1)Nc1cccc(OCCn2cccn2)c1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide?
The InChIKey is FTJDFGXEOOETGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c23-19(9-14-27(24,25)18-7-1-2-8-18)21-16-5-3-6-17(15-16)26-13-12-22-11-4-10-20-22/h3-6,10-11,15,18H,1-2,7-9,12-14H2,(H,21,23).
What are the key properties of 3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide?
3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide has a molecular weight of 391.49 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide is sourced from PubChem (CID 55854748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).