2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide

C20H23N3O2S — CID 122244404

IUPAC2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide
SMILESCc1cc(C)n(C(CNC(=O)CSCc2ccccc2)c2ccco2)n1
InChIInChI=1S/C20H23N3O2S/c1-15-11-16(2)23(22-15)18(19-9-6-10-25-19)12-21-20(24)14-26-13-17-7-4-3-5-8-17/h3-11,18H,12-14H2,1-2H3,(H,21,24)
InChIKeyTUVOVFODEASIAO-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.73
Rot. Bonds8

About 2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide

2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide (PubChem CID 122244404) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide
PubChem CID122244404
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide
SMILESCc1cc(C)n(C(CNC(=O)CSCc2ccccc2)c2ccco2)n1
InChIInChI=1S/C20H23N3O2S/c1-15-11-16(2)23(22-15)18(19-9-6-10-25-19)12-21-20(24)14-26-13-17-7-4-3-5-8-17/h3-11,18H,12-14H2,1-2H3,(H,21,24)
InChIKeyTUVOVFODEASIAO-UHFFFAOYSA-N
XLogP3.73
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxyacetamide
CID 122265475
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 122244394
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 122244396
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide
CID 122244409
3-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]propanamide
CID 122265498
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122265592
N'-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 122265812
2-(4-tert-butylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide
CID 122265612
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122265668
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 122265497
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122265553

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide (CID 122244404) is 2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide is Cc1cc(C)n(C(CNC(=O)CSCc2ccccc2)c2ccco2)n1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide?
The InChIKey is TUVOVFODEASIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15-11-16(2)23(22-15)18(19-9-6-10-25-19)12-21-20(24)14-26-13-17-7-4-3-5-8-17/h3-11,18H,12-14H2,1-2H3,(H,21,24).
What are the key properties of 2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide?
2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 122244404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).