N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide

C19H24N4O2S — CID 47044363

IUPACN-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide
SMILESCC(Cn1cccn1)NC(=O)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C19H24N4O2S/c1-14(13-23-12-6-11-20-23)21-18(24)19(25)22-16-9-4-5-10-17(16)26-15-7-2-3-8-15/h4-6,9-12,14-15H,2-3,7-8,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyHMSLRISVRIHNET-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.06
Rot. Bonds6

About N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide

N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide (PubChem CID 47044363) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide
PubChem CID47044363
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide
SMILESCC(Cn1cccn1)NC(=O)C(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C19H24N4O2S/c1-14(13-23-12-6-11-20-23)21-18(24)19(25)22-16-9-4-5-10-17(16)26-15-7-2-3-8-15/h4-6,9-12,14-15H,2-3,7-8,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyHMSLRISVRIHNET-UHFFFAOYSA-N
XLogP3.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide (CID 47044363) is N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide is CC(Cn1cccn1)NC(=O)C(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide?
The InChIKey is HMSLRISVRIHNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14(13-23-12-6-11-20-23)21-18(24)19(25)22-16-9-4-5-10-17(16)26-15-7-2-3-8-15/h4-6,9-12,14-15H,2-3,7-8,13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide?
N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide has a molecular weight of 372.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide is sourced from PubChem (CID 47044363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).