5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide

C22H19N3O4S — CID 46468496

IUPAC5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C22H19N3O4S/c26-22(23-15-17-7-9-18(10-8-17)25-14-4-13-24-25)21-12-11-19(29-21)16-30(27,28)20-5-2-1-3-6-20/h1-14H,15-16H2,(H,23,26)
InChIKeyMMXWKTGMDFQXLL-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.37
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide (PubChem CID 46468496) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
PubChem CID46468496
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C22H19N3O4S/c26-22(23-15-17-7-9-18(10-8-17)25-14-4-13-24-25)21-12-11-19(29-21)16-30(27,28)20-5-2-1-3-6-20/h1-14H,15-16H2,(H,23,26)
InChIKeyMMXWKTGMDFQXLL-UHFFFAOYSA-N
XLogP3.37
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 55653064
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426
5-nitro-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 71941563
5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide
CID 24509023
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
2-[benzenesulfonyl(methyl)amino]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55711130
5-(benzenesulfonylmethyl)-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
CID 56576475
2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-3-carboxamide
CID 17354240
N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide (CID 46468496) is 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide is O=C(NCc1ccc(-n2cccn2)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
The InChIKey is MMXWKTGMDFQXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c26-22(23-15-17-7-9-18(10-8-17)25-14-4-13-24-25)21-12-11-19(29-21)16-30(27,28)20-5-2-1-3-6-20/h1-14H,15-16H2,(H,23,26).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46468496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).