N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

C21H18N4O7S — CID 35862149

IUPACN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c1
InChIInChI=1S/C21H18N4O7S/c1-11-17(18-19(27)22-10-23-21(18)32-11)20(28)24-14-9-12(7-8-15(14)26)33(29,30)25-13-5-3-4-6-16(13)31-2/h3-10,25-26H,1-2H3,(H,24,28)(H,22,23,27)
InChIKeyUBHBIWRDYODNHV-UHFFFAOYSA-N
MW470.46 g/mol
LogP2.59
Rot. Bonds6

About N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 35862149) has the molecular formula C21H18N4O7S and a molecular weight of 470.46 g/mol. Its IUPAC name is N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID35862149
Molecular FormulaC21H18N4O7S
Molecular Weight470.46 g/mol
Exact Mass470.09
IUPAC NameN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c1
InChIInChI=1S/C21H18N4O7S/c1-11-17(18-19(27)22-10-23-21(18)32-11)20(28)24-14-9-12(7-8-15(14)26)33(29,30)25-13-5-3-4-6-16(13)31-2/h3-10,25-26H,1-2H3,(H,24,28)(H,22,23,27)
InChIKeyUBHBIWRDYODNHV-UHFFFAOYSA-N
XLogP2.59
TPSA163.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 35832228
N-(4,5-dimethoxy-2-methylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 75493186
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 24588243
4-(dimethylamino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 35994119
2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43018799
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 46683088
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55377881
3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 24588283
5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 24588190
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55791535
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazine-2-carboxamide
CID 18292276

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide (CID 35862149) is N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c1.
What is the InChIKey of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UBHBIWRDYODNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O7S/c1-11-17(18-19(27)22-10-23-21(18)32-11)20(28)24-14-9-12(7-8-15(14)26)33(29,30)25-13-5-3-4-6-16(13)31-2/h3-10,25-26H,1-2H3,(H,24,28)(H,22,23,27).
What are the key properties of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide?
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 470.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 35862149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).