N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

C23H21N3O2S — CID 134000854

IUPACN-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1occc1CSc1ccccc1
InChIInChI=1S/C23H21N3O2S/c27-23(22-19(12-14-28-22)17-29-21-9-5-2-6-10-21)24-13-11-18-15-25-26(16-18)20-7-3-1-4-8-20/h1-10,12,14-16H,11,13,17H2,(H,24,27)
InChIKeyDXTZTQXQSNZLJK-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.73
Rot. Bonds8

About N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide

N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 134000854) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID134000854
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1occc1CSc1ccccc1
InChIInChI=1S/C23H21N3O2S/c27-23(22-19(12-14-28-22)17-29-21-9-5-2-6-10-21)24-13-11-18-15-25-26(16-18)20-7-3-1-4-8-20/h1-10,12,14-16H,11,13,17H2,(H,24,27)
InChIKeyDXTZTQXQSNZLJK-UHFFFAOYSA-N
XLogP4.73
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 111433757
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78842505
N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119497428
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55504936
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 131935956
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 134000854) is N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is O=C(NCCc1cnn(-c2ccccc2)c1)c1occc1CSc1ccccc1.
What is the InChIKey of N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is DXTZTQXQSNZLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-23(22-19(12-14-28-22)17-29-21-9-5-2-6-10-21)24-13-11-18-15-25-26(16-18)20-7-3-1-4-8-20/h1-10,12,14-16H,11,13,17H2,(H,24,27).
What are the key properties of N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 134000854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).