3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide

C22H19N3O5S — CID 56552534

IUPAC3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C22H19N3O5S/c1-29-19-10-6-5-9-17(19)18-13-20(25-24-18)23-22(26)21-15(11-12-30-21)14-31(27,28)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,23,24,25,26)
InChIKeyFCQXRRMDCMGWSC-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.90
Rot. Bonds7

About 3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide (PubChem CID 56552534) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide
PubChem CID56552534
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C22H19N3O5S/c1-29-19-10-6-5-9-17(19)18-13-20(25-24-18)23-22(26)21-15(11-12-30-21)14-31(27,28)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,23,24,25,26)
InChIKeyFCQXRRMDCMGWSC-UHFFFAOYSA-N
XLogP3.90
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 51099249
3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 33114149
3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 55466162
methyl 3-[2-[3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]phenyl]ethynyl]benzoate
CID 38087980
4-[[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 75431889
2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 56552353
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 30908299
2-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 51099256
methyl 3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-methylbenzoate
CID 30804496
3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide
CID 86898374

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide (CID 56552534) is 3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide is COc1ccccc1-c1cc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)n[nH]1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is FCQXRRMDCMGWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-29-19-10-6-5-9-17(19)18-13-20(25-24-18)23-22(26)21-15(11-12-30-21)14-31(27,28)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,23,24,25,26).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 56552534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).