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

C20H20N2O6S — CID 108793317

IUPACN-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1
InChIInChI=1S/C20H20N2O6S/c1-12(23)22-29(26,27)15-7-5-14(6-8-15)21-19(25)13-4-9-18-16(10-13)17(24)11-20(2,3)28-18/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyQHRYJLMGKCKRBH-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.51
Rot. Bonds4

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

N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108793317) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
PubChem CID108793317
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1
InChIInChI=1S/C20H20N2O6S/c1-12(23)22-29(26,27)15-7-5-14(6-8-15)21-19(25)13-4-9-18-16(10-13)17(24)11-20(2,3)28-18/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyQHRYJLMGKCKRBH-UHFFFAOYSA-N
XLogP2.51
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793309
2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide
CID 108793237
N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805240
N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793202
N-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793188
3-[[4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108805234
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805246
N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805235
2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide
CID 108793239
4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybenzoic acid
CID 108744223
2,2-dimethyl-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
CID 108727448
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793302

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (CID 108793317) is N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is QHRYJLMGKCKRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-12(23)22-29(26,27)15-7-5-14(6-8-15)21-19(25)13-4-9-18-16(10-13)17(24)11-20(2,3)28-18/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108793317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).