N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide

C16H16N4O5S — CID 69381406

IUPACN-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H16N4O5S/c1-24-11-4-6-13(7-5-11)26(22,23)20-14-10-18-19-15(14)16(21)17-9-12-3-2-8-25-12/h2-8,10,20H,9H2,1H3,(H,17,21)(H,18,19)
InChIKeyXKMBKFCEKJYXNZ-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.74
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide

N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (PubChem CID 69381406) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
PubChem CID69381406
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC NameN-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H16N4O5S/c1-24-11-4-6-13(7-5-11)26(22,23)20-14-10-18-19-15(14)16(21)17-9-12-3-2-8-25-12/h2-8,10,20H,9H2,1H3,(H,17,21)(H,18,19)
InChIKeyXKMBKFCEKJYXNZ-UHFFFAOYSA-N
XLogP1.74
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide
CID 69379558
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 69379894
N-(furan-2-ylmethyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126384368
N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 9185408
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanamide
CID 42703821
N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide
CID 110469584
4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 8603467
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 51170390
4-[(2,4-difluorobenzoyl)amino]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 69378466
N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide
CID 26982526
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (CID 69381406) is N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is COc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is XKMBKFCEKJYXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c1-24-11-4-6-13(7-5-11)26(22,23)20-14-10-18-19-15(14)16(21)17-9-12-3-2-8-25-12/h2-8,10,20H,9H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69381406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).