5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide

C18H24N4O2S2 — CID 45202930

IUPAC5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide
SMILESCSCC(=O)N1CCCC1c1ccc(C(=O)NCCCn2cccn2)s1
InChIInChI=1S/C18H24N4O2S2/c1-25-13-17(23)22-12-2-5-14(22)15-6-7-16(26-15)18(24)19-8-3-10-21-11-4-9-20-21/h4,6-7,9,11,14H,2-3,5,8,10,12-13H2,1H3,(H,19,24)
InChIKeyCVGGDMXZBGZWCQ-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.79
Rot. Bonds8

About 5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide

5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 45202930) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide
PubChem CID45202930
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC Name5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide
SMILESCSCC(=O)N1CCCC1c1ccc(C(=O)NCCCn2cccn2)s1
InChIInChI=1S/C18H24N4O2S2/c1-25-13-17(23)22-12-2-5-14(22)15-6-7-16(26-15)18(24)19-8-3-10-21-11-4-9-20-21/h4,6-7,9,11,14H,2-3,5,8,10,12-13H2,1H3,(H,19,24)
InChIKeyCVGGDMXZBGZWCQ-UHFFFAOYSA-N
XLogP2.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030715
5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 45220914
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
CID 94060177
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
(2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
CID 94030721
1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 129427741
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
CID 45183238
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 47165617
5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 55139382
3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 107071854
4-pyrazol-1-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 95978501
2-(1-methylimidazol-2-yl)sulfanyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51188448

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide (CID 45202930) is 5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide is CSCC(=O)N1CCCC1c1ccc(C(=O)NCCCn2cccn2)s1.
What is the InChIKey of 5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is CVGGDMXZBGZWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-25-13-17(23)22-12-2-5-14(22)15-6-7-16(26-15)18(24)19-8-3-10-21-11-4-9-20-21/h4,6-7,9,11,14H,2-3,5,8,10,12-13H2,1H3,(H,19,24).
What are the key properties of 5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide?
5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 45202930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).