N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide

C19H22N2O4S — CID 2358633

IUPACN-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
SMILESCC1=C(C)C(=NS(=O)(=O)c2ccc(C)cc2)C=C(N2CCOCC2)C1=O
InChIInChI=1S/C19H22N2O4S/c1-13-4-6-16(7-5-13)26(23,24)20-17-12-18(19(22)15(3)14(17)2)21-8-10-25-11-9-21/h4-7,12H,8-11H2,1-3H3
InChIKeyWWPUMLSCSNCDQA-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.26
Rot. Bonds3

About N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide

N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide (PubChem CID 2358633) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
PubChem CID2358633
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
SMILESCC1=C(C)C(=NS(=O)(=O)c2ccc(C)cc2)C=C(N2CCOCC2)C1=O
InChIInChI=1S/C19H22N2O4S/c1-13-4-6-16(7-5-13)26(23,24)20-17-12-18(19(22)15(3)14(17)2)21-8-10-25-11-9-21/h4-7,12H,8-11H2,1-3H3
InChIKeyWWPUMLSCSNCDQA-UHFFFAOYSA-N
XLogP2.26
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide (CID 2358633) is N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide is CC1=C(C)C(=NS(=O)(=O)c2ccc(C)cc2)C=C(N2CCOCC2)C1=O.
What is the InChIKey of N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is WWPUMLSCSNCDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-4-6-16(7-5-13)26(23,24)20-17-12-18(19(22)15(3)14(17)2)21-8-10-25-11-9-21/h4-7,12H,8-11H2,1-3H3.
What are the key properties of N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2358633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).