N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide

C23H20N4O5S — CID 19119089

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4cccc(C)c4o3)cc2)nc(C)n1
InChIInChI=1S/C23H20N4O5S/c1-13-5-4-6-18-19(28)12-20(32-22(13)18)23(29)26-16-7-9-17(10-8-16)33(30,31)27-21-11-14(2)24-15(3)25-21/h4-12H,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyHBKLUIKRINBVKT-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.56
Rot. Bonds5

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide (PubChem CID 19119089) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
PubChem CID19119089
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4cccc(C)c4o3)cc2)nc(C)n1
InChIInChI=1S/C23H20N4O5S/c1-13-5-4-6-18-19(28)12-20(32-22(13)18)23(29)26-16-7-9-17(10-8-16)33(30,31)27-21-11-14(2)24-15(3)25-21/h4-12H,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyHBKLUIKRINBVKT-UHFFFAOYSA-N
XLogP3.56
TPSA131.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119129
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
CID 4132833
N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19118994
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
8-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
CID 19119139
8-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-oxochromene-2-carboxamide
CID 19119100
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 2095364
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 121067088

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide (CID 19119089) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4cccc(C)c4o3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide?
The InChIKey is HBKLUIKRINBVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5S/c1-13-5-4-6-18-19(28)12-20(32-22(13)18)23(29)26-16-7-9-17(10-8-16)33(30,31)27-21-11-14(2)24-15(3)25-21/h4-12H,1-3H3,(H,26,29)(H,24,25,27).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 19119089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).