2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide

C18H19N3O2S — CID 71797311

IUPAC2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
SMILESCn1nc(CNC(=O)CSCc2ccccc2)cc1-c1ccco1
InChIInChI=1S/C18H19N3O2S/c1-21-16(17-8-5-9-23-17)10-15(20-21)11-19-18(22)13-24-12-14-6-3-2-4-7-14/h2-10H,11-13H2,1H3,(H,19,22)
InChIKeyBNRZTHSVFGRPOE-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.23
Rot. Bonds7

About 2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide

2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide (PubChem CID 71797311) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
PubChem CID71797311
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
SMILESCn1nc(CNC(=O)CSCc2ccccc2)cc1-c1ccco1
InChIInChI=1S/C18H19N3O2S/c1-21-16(17-8-5-9-23-17)10-15(20-21)11-19-18(22)13-24-12-14-6-3-2-4-7-14/h2-10H,11-13H2,1H3,(H,19,22)
InChIKeyBNRZTHSVFGRPOE-UHFFFAOYSA-N
XLogP3.23
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797633
N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636174
3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
CID 71797298
2-benzylsulfanyl-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]acetamide
CID 122266969
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71797295
(E)-3-(2-chlorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide
CID 71797314
(E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 71797297
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine
CID 95732772
3-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 71797339
2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide
CID 71797324
2-benzylsulfanyl-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261968
2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide
CID 122244404

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide (CID 71797311) is 2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide is Cn1nc(CNC(=O)CSCc2ccccc2)cc1-c1ccco1.
What is the InChIKey of 2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide?
The InChIKey is BNRZTHSVFGRPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-21-16(17-8-5-9-23-17)10-15(20-21)11-19-18(22)13-24-12-14-6-3-2-4-7-14/h2-10H,11-13H2,1H3,(H,19,22).
What are the key properties of 2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide?
2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide is sourced from PubChem (CID 71797311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).