4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide

C19H20ClN3O4S3 — CID 142679225

IUPAC4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(C3(Cl)C=CCS3)cc2)n1)N1CCOCC1
InChIInChI=1S/C19H20ClN3O4S3/c20-19(6-1-11-29-19)14-2-4-16(5-3-14)30(25,26)22-18-21-15(13-28-18)12-17(24)23-7-9-27-10-8-23/h1-6,13H,7-12H2,(H,21,22)
InChIKeyGEKQACIQIOICIO-UHFFFAOYSA-N
MW486.04 g/mol
LogP3.04
Rot. Bonds6

About 4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide

4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 142679225) has the molecular formula C19H20ClN3O4S3 and a molecular weight of 486.04 g/mol. Its IUPAC name is 4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID142679225
Molecular FormulaC19H20ClN3O4S3
Molecular Weight486.04 g/mol
Exact Mass485.03
IUPAC Name4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(C3(Cl)C=CCS3)cc2)n1)N1CCOCC1
InChIInChI=1S/C19H20ClN3O4S3/c20-19(6-1-11-29-19)14-2-4-16(5-3-14)30(25,26)22-18-21-15(13-28-18)12-17(24)23-7-9-27-10-8-23/h1-6,13H,7-12H2,(H,21,22)
InChIKeyGEKQACIQIOICIO-UHFFFAOYSA-N
XLogP3.04
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.04
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]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-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 87545409
N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16827165
1-[2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 16827166
4-(3,4-dichlorophenyl)-N-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22028078
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 59802440
4-chloro-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 59698895
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
4-chloro-N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 18571920
N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide
CID 81197033
4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide
CID 11719465
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-4-propylbenzenesulfonamide
CID 11373211

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 142679225) is 4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide is O=C(Cc1csc(NS(=O)(=O)c2ccc(C3(Cl)C=CCS3)cc2)n1)N1CCOCC1.
What is the InChIKey of 4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is GEKQACIQIOICIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S3/c20-19(6-1-11-29-19)14-2-4-16(5-3-14)30(25,26)22-18-21-15(13-28-18)12-17(24)23-7-9-27-10-8-23/h1-6,13H,7-12H2,(H,21,22).
What are the key properties of 4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 486.04 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 142679225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).