6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide

C19H20N2O5S — CID 4908995

IUPAC6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide
SMILESCCc1ccc2c(c1)CC(C)(C(=O)Nc1ccc(S(N)(=O)=O)cc1)OC2=O
InChIInChI=1S/C19H20N2O5S/c1-3-12-4-9-16-13(10-12)11-19(2,26-17(16)22)18(23)21-14-5-7-15(8-6-14)27(20,24)25/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyCGOFUZXZJRCKHU-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.01
Rot. Bonds4

About 6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide

6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide (PubChem CID 4908995) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide
PubChem CID4908995
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide
SMILESCCc1ccc2c(c1)CC(C)(C(=O)Nc1ccc(S(N)(=O)=O)cc1)OC2=O
InChIInChI=1S/C19H20N2O5S/c1-3-12-4-9-16-13(10-12)11-19(2,26-17(16)22)18(23)21-14-5-7-15(8-6-14)27(20,24)25/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyCGOFUZXZJRCKHU-UHFFFAOYSA-N
XLogP2.01
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-N-(4-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 4906092
N-(4-iodophenyl)-3,6-dimethyl-1-oxo-4H-isochromene-3-carboxamide
CID 4902937
(2R,4S)-4-ethyl-2-methyl-5-oxo-N-(4-sulfamoylphenyl)oxolane-2-carboxamide
CID 739175
N-(4-acetylphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide
CID 4908139
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55715250
N-(3,4-dimethylphenyl)-6-fluoro-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 4974992
N-[4-(diethylcarbamoyl)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 78710241
(3S)-N-(2-ethylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 944283
1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17100484
N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027692
N-(1-benzothiophen-5-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55477990

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide?
The IUPAC name of 6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide (CID 4908995) is 6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide.
What is the SMILES notation for 6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide?
The canonical SMILES for 6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide is CCc1ccc2c(c1)CC(C)(C(=O)Nc1ccc(S(N)(=O)=O)cc1)OC2=O.
What is the InChIKey of 6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide?
The InChIKey is CGOFUZXZJRCKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-3-12-4-9-16-13(10-12)11-19(2,26-17(16)22)18(23)21-14-5-7-15(8-6-14)27(20,24)25/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide?
6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-oxo-N-(4-sulfamoylphenyl)-4H-isochromene-3-carboxamide is sourced from PubChem (CID 4908995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).