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

C22H18N4O5S — CID 1183749

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)n1
InChIInChI=1S/C22H18N4O5S/c1-13-11-14(2)24-22(23-13)26-32(29,30)16-9-7-15(8-10-16)25-21(28)20-12-18(27)17-5-3-4-6-19(17)31-20/h3-12H,1-2H3,(H,25,28)(H,23,24,26)
InChIKeyGZVBXFZTIWCKDQ-UHFFFAOYSA-N
MW450.48 g/mol
LogP3.25
Rot. Bonds5

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

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide (PubChem CID 1183749) has the molecular formula C22H18N4O5S and a molecular weight of 450.48 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
PubChem CID1183749
Molecular FormulaC22H18N4O5S
Molecular Weight450.48 g/mol
Exact Mass450.10
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)n1
InChIInChI=1S/C22H18N4O5S/c1-13-11-14(2)24-22(23-13)26-32(29,30)16-9-7-15(8-10-16)25-21(28)20-12-18(27)17-5-3-4-6-19(17)31-20/h3-12H,1-2H3,(H,25,28)(H,23,24,26)
InChIKeyGZVBXFZTIWCKDQ-UHFFFAOYSA-N
XLogP3.25
TPSA131.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenoxyacetamide
CID 1116398
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-o-tolyloxy-acetamide
CID 647000
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-2,6-dimethoxy-benzamide
CID 651608
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-methoxyphenyl)acetamide
CID 1009728
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-2-m-tolyloxy-acetamide
CID 1144624
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2,3,5-trimethylphenoxy)acetamide
CID 1192510
3-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide
CID 1244069
2-(4-tert-butylphenoxy)-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1320787
N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-methoxybenzamide
CID 1323464
Cambridge id 6931956
CID 1324776
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-4-o-tolyloxy-butyramide
CID 1564331
4-{[(1E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 1894837

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide (CID 1183749) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is GZVBXFZTIWCKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5S/c1-13-11-14(2)24-22(23-13)26-32(29,30)16-9-7-15(8-10-16)25-21(28)20-12-18(27)17-5-3-4-6-19(17)31-20/h3-12H,1-2H3,(H,25,28)(H,23,24,26).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 1183749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).