N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide

C17H16N4O6S — CID 1241577

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)nc(OC)n1
InChIInChI=1S/C17H16N4O6S/c1-25-15-10-14(19-17(20-15)26-2)21-28(23,24)12-7-5-11(6-8-12)18-16(22)13-4-3-9-27-13/h3-10H,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyDQOZFKWKEFZPOO-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.14
Rot. Bonds7

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide (PubChem CID 1241577) has the molecular formula C17H16N4O6S and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide
PubChem CID1241577
Molecular FormulaC17H16N4O6S
Molecular Weight404.40 g/mol
Exact Mass404.08
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)nc(OC)n1
InChIInChI=1S/C17H16N4O6S/c1-25-15-10-14(19-17(20-15)26-2)21-28(23,24)12-7-5-11(6-8-12)18-16(22)13-4-3-9-27-13/h3-10H,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyDQOZFKWKEFZPOO-UHFFFAOYSA-N
XLogP2.14
TPSA132.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-furamide
CID 986954
(E)-3-(furan-2-yl)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 1986560
5-bromo-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-2-furamide
CID 1235997
5-bromo-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1407193
N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide
CID 1733352
N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)furan-2-carboxamide
CID 1981918
N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-3-(furan-2-yl)prop-2-enamide
CID 5532792
N-(4-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)phenyl)furan-2-carboxamide
CID 44522249
N-(4-((4-(ethylamino)-6-methylpyrimidin-2-yl)amino)phenyl)furan-2-carboxamide
CID 44522257
N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide
CID 1072493
N-(4-{[(2,6-dimethylpyrimidin-4-yl)amino]sulfonyl}phenyl)-2-methyl-3-furamide
CID 3243546
5-bromo-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1000819

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide (CID 1241577) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide?
The InChIKey is DQOZFKWKEFZPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O6S/c1-25-15-10-14(19-17(20-15)26-2)21-28(23,24)12-7-5-11(6-8-12)18-16(22)13-4-3-9-27-13/h3-10H,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1241577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).