2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide

C16H19Cl2N3O3S3 — CID 55866835

IUPAC2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCSCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1csc(C)n1
InChIInChI=1S/C16H19Cl2N3O3S3/c1-10-20-12(9-26-10)8-19-16(22)14(5-6-25-2)21-27(23,24)15-7-11(17)3-4-13(15)18/h3-4,7,9,14,21H,5-6,8H2,1-2H3,(H,19,22)
InChIKeyLCGLKKJJMOODDN-UHFFFAOYSA-N
MW468.45 g/mol
LogP3.47
Rot. Bonds9

About 2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide

2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 55866835) has the molecular formula C16H19Cl2N3O3S3 and a molecular weight of 468.45 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID55866835
Molecular FormulaC16H19Cl2N3O3S3
Molecular Weight468.45 g/mol
Exact Mass467.00
IUPAC Name2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCSCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1csc(C)n1
InChIInChI=1S/C16H19Cl2N3O3S3/c1-10-20-12(9-26-10)8-19-16(22)14(5-6-25-2)21-27(23,24)15-7-11(17)3-4-13(15)18/h3-4,7,9,14,21H,5-6,8H2,1-2H3,(H,19,22)
InChIKeyLCGLKKJJMOODDN-UHFFFAOYSA-N
XLogP3.47
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide with MolForge

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Related Compounds

(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 2121600
2-[(2,5-dichlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 43017438
2-[(2,5-dichlorophenyl)sulfonylamino]-N-heptan-2-yl-4-methylsulfanylbutanamide
CID 43019434
4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide
CID 24647982
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide
CID 25199435
(2R)-2-amino-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 104908213
4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)-2-[(2,4,5-trimethylphenyl)sulfonylamino]butanamide
CID 75191884
2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 75191877
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide
CID 112803692
2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 24575316
2-[(2-fluorophenyl)sulfonylamino]-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylsulfanylbutanamide
CID 55977067
2,5-dichloro-N-[1-(4-cyclopentylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 55585011

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide (CID 55866835) is 2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide is CSCCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1csc(C)n1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is LCGLKKJJMOODDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O3S3/c1-10-20-12(9-26-10)8-19-16(22)14(5-6-25-2)21-27(23,24)15-7-11(17)3-4-13(15)18/h3-4,7,9,14,21H,5-6,8H2,1-2H3,(H,19,22).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 468.45 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 55866835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).