2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide

C23H22N4O5S — CID 108793237

IUPAC2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)CC(C)(C)O4)cc2)n1
InChIInChI=1S/C23H22N4O5S/c1-14-10-11-24-22(25-14)27-33(30,31)17-7-5-16(6-8-17)26-21(29)15-4-9-20-18(12-15)19(28)13-23(2,3)32-20/h4-12H,13H2,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyBGDVHOYRFOPAIU-UHFFFAOYSA-N
MW466.52 g/mol
LogP3.58
Rot. Bonds5

About 2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide

2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108793237) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide
PubChem CID108793237
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC Name2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)CC(C)(C)O4)cc2)n1
InChIInChI=1S/C23H22N4O5S/c1-14-10-11-24-22(25-14)27-33(30,31)17-7-5-16(6-8-17)26-21(29)15-4-9-20-18(12-15)19(28)13-23(2,3)32-20/h4-12H,13H2,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyBGDVHOYRFOPAIU-UHFFFAOYSA-N
XLogP3.58
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793317
3-(azepan-1-ylsulfonyl)-4-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 46771079
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793309
3-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150968
4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 30396309
4-[bis(prop-2-enyl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147353
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 43909240
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38004597
N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793202
4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 18560761

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide (CID 108793237) is 2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)CC(C)(C)O4)cc2)n1.
What is the InChIKey of 2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is BGDVHOYRFOPAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-14-10-11-24-22(25-14)27-33(30,31)17-7-5-16(6-8-17)26-21(29)15-4-9-20-18(12-15)19(28)13-23(2,3)32-20/h4-12H,13H2,1-3H3,(H,26,29)(H,24,25,27).
What are the key properties of 2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide?
2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108793237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).