N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide

C22H25NO5S — CID 142380398

IUPACN-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)cc1
InChIInChI=1S/C22H25NO5S/c1-2-15-3-5-17(6-4-15)23-29(25,26)18-7-8-21-19(13-18)20(24)14-22(28-21)16-9-11-27-12-10-16/h3-8,13,16,22-23H,2,9-12,14H2,1H3
InChIKeyUIKJTYNPJBEQJS-UHFFFAOYSA-N
MW415.51 g/mol
LogP3.81
Rot. Bonds5

About N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide

N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide (PubChem CID 142380398) has the molecular formula C22H25NO5S and a molecular weight of 415.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
PubChem CID142380398
Molecular FormulaC22H25NO5S
Molecular Weight415.51 g/mol
Exact Mass415.15
IUPAC NameN-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)cc1
InChIInChI=1S/C22H25NO5S/c1-2-15-3-5-17(6-4-15)23-29(25,26)18-7-8-21-19(13-18)20(24)14-22(28-21)16-9-11-27-12-10-16/h3-8,13,16,22-23H,2,9-12,14H2,1H3
InChIKeyUIKJTYNPJBEQJS-UHFFFAOYSA-N
XLogP3.81
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

S-[2-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate
CID 11538378
N-(4-ethylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 142380189
N-(4-tert-butylphenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 142380191
N-(4-ethylphenyl)-N-(2-methylpropyl)-2-[1-(oxan-4-yl)ethyl]-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 142380204
N-(2,4-difluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 142380223
N-(4-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 142380229
N-(4-cyanophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 142380232
2-(1-cyclopentylsulfonylpiperidin-4-yl)-N-(4-ethylphenyl)-N-(2-methylpropyl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 142380235
N-[4-(dimethylamino)phenyl]-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 142380236
N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 142380239
N-(4-ethylphenyl)-N-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 142380247
N-(cyclobutylmethyl)-N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 142380268

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide (CID 142380398) is N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide is CCc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)CC(C2CCOCC2)O3)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide?
The InChIKey is UIKJTYNPJBEQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5S/c1-2-15-3-5-17(6-4-15)23-29(25,26)18-7-8-21-19(13-18)20(24)14-22(28-21)16-9-11-27-12-10-16/h3-8,13,16,22-23H,2,9-12,14H2,1H3.
What are the key properties of N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide?
N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide has a molecular weight of 415.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 142380398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).