N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide

C20H22N2O4S — CID 52601505

IUPACN-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide
SMILESCCN(CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1C
InChIInChI=1S/C20H22N2O4S/c1-3-22(18-7-5-4-6-15(18)2)13-12-21-27(24,25)17-9-10-19-16(14-17)8-11-20(23)26-19/h4-11,14,21H,3,12-13H2,1-2H3
InChIKeyIGEUACQSZBJYSW-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide

N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide (PubChem CID 52601505) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide
PubChem CID52601505
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide
SMILESCCN(CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1C
InChIInChI=1S/C20H22N2O4S/c1-3-22(18-7-5-4-6-15(18)2)13-12-21-27(24,25)17-9-10-19-16(14-17)8-11-20(23)26-19/h4-11,14,21H,3,12-13H2,1-2H3
InChIKeyIGEUACQSZBJYSW-UHFFFAOYSA-N
XLogP2.91
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 55725310
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
CID 24677976
N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
CID 107319443
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
CID 62664267
N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide
CID 87024847
N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide
CID 30713094
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide?
The IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide (CID 52601505) is N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide is CCN(CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1C.
What is the InChIKey of N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide?
The InChIKey is IGEUACQSZBJYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-22(18-7-5-4-6-15(18)2)13-12-21-27(24,25)17-9-10-19-16(14-17)8-11-20(23)26-19/h4-11,14,21H,3,12-13H2,1-2H3.
What are the key properties of N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide?
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methylanilino)ethyl]-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 52601505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).