N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide

C19H20N2O3S2 — CID 126212127

IUPACN-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESCCc1sc(=NS(=O)(=O)c2ccccc2)n(C)c1-c1ccc(OC)cc1
InChIInChI=1S/C19H20N2O3S2/c1-4-17-18(14-10-12-15(24-3)13-11-14)21(2)19(25-17)20-26(22,23)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3
InChIKeyQWECLVXKSUYWNI-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.61
Rot. Bonds5

About N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide

N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide (PubChem CID 126212127) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide
PubChem CID126212127
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESCCc1sc(=NS(=O)(=O)c2ccccc2)n(C)c1-c1ccc(OC)cc1
InChIInChI=1S/C19H20N2O3S2/c1-4-17-18(14-10-12-15(24-3)13-11-14)21(2)19(25-17)20-26(22,23)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3
InChIKeyQWECLVXKSUYWNI-UHFFFAOYSA-N
XLogP3.61
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 126200501
4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 126211272
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891914
N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide
CID 126211364
5-chloro-N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 126205417
(NZ)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937518
N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891793
(NE)-N-[3-(3-methoxyphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 10712602
(NZ)-N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936970
(NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide
CID 15697867
ethyl (2Z)-2-(4-methoxyphenyl)sulfonylimino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 16937397
(NZ)-N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937064

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The IUPAC name of N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide (CID 126212127) is N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide.
What is the SMILES notation for N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The canonical SMILES for N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide is CCc1sc(=NS(=O)(=O)c2ccccc2)n(C)c1-c1ccc(OC)cc1.
What is the InChIKey of N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The InChIKey is QWECLVXKSUYWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-4-17-18(14-10-12-15(24-3)13-11-14)21(2)19(25-17)20-26(22,23)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3.
What are the key properties of N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide has a molecular weight of 388.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 126212127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).