5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide

C21H18N4O4S — CID 55653064

IUPAC5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cccnc1-n1cccn1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C21H18N4O4S/c26-21(23-14-16-6-4-11-22-20(16)25-13-5-12-24-25)19-10-9-17(29-19)15-30(27,28)18-7-2-1-3-8-18/h1-13H,14-15H2,(H,23,26)
InChIKeyUGMUAFMCDOLSDH-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.76
Rot. Bonds7

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

5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 55653064) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide
PubChem CID55653064
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Name5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1cccnc1-n1cccn1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C21H18N4O4S/c26-21(23-14-16-6-4-11-22-20(16)25-13-5-12-24-25)19-10-9-17(29-19)15-30(27,28)18-7-2-1-3-8-18/h1-13H,14-15H2,(H,23,26)
InChIKeyUGMUAFMCDOLSDH-UHFFFAOYSA-N
XLogP2.76
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 46468496
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 46431752
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 55727924
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 46431766
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859588
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426
4-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3H-phthalazine-1-carboxamide
CID 47029005

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide (CID 55653064) is 5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide is O=C(NCc1cccnc1-n1cccn1)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is UGMUAFMCDOLSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c26-21(23-14-16-6-4-11-22-20(16)25-13-5-12-24-25)19-10-9-17(29-19)15-30(27,28)18-7-2-1-3-8-18/h1-13H,14-15H2,(H,23,26).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 55653064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).