N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide

C21H22N2O5S — CID 25443449

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(=O)c3ccccc3o2)ccc1C
InChIInChI=1S/C21H22N2O5S/c1-4-23(5-2)29(26,27)20-12-15(11-10-14(20)3)22-21(25)19-13-17(24)16-8-6-7-9-18(16)28-19/h6-13H,4-5H2,1-3H3,(H,22,25)
InChIKeyVEWIHIREUODTOF-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.38
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide (PubChem CID 25443449) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide
PubChem CID25443449
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(=O)c3ccccc3o2)ccc1C
InChIInChI=1S/C21H22N2O5S/c1-4-23(5-2)29(26,27)20-12-15(11-10-14(20)3)22-21(25)19-13-17(24)16-8-6-7-9-18(16)28-19/h6-13H,4-5H2,1-3H3,(H,22,25)
InChIKeyVEWIHIREUODTOF-UHFFFAOYSA-N
XLogP3.38
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8873029
2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 119943661
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815755
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
CID 26521121
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide
CID 38253448
N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 29356996
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 30880575

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide (CID 25443449) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(=O)c3ccccc3o2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide?
The InChIKey is VEWIHIREUODTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-4-23(5-2)29(26,27)20-12-15(11-10-14(20)3)22-21(25)19-13-17(24)16-8-6-7-9-18(16)28-19/h6-13H,4-5H2,1-3H3,(H,22,25).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 25443449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).