2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide

C18H20N4O3S3 — CID 25042188

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(SC1=NCCS1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C18H20N4O3S3/c1-2-15(27-18-20-11-12-26-18)17(23)21-13-6-8-14(9-7-13)28(24,25)22-16-5-3-4-10-19-16/h3-10,15H,2,11-12H2,1H3,(H,19,22)(H,21,23)
InChIKeyRUXYHHKCJOOYFV-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.44
Rot. Bonds7

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 25042188) has the molecular formula C18H20N4O3S3 and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
PubChem CID25042188
Molecular FormulaC18H20N4O3S3
Molecular Weight436.58 g/mol
Exact Mass436.07
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(SC1=NCCS1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C18H20N4O3S3/c1-2-15(27-18-20-11-12-26-18)17(23)21-13-6-8-14(9-7-13)28(24,25)22-16-5-3-4-10-19-16/h3-10,15H,2,11-12H2,1H3,(H,19,22)(H,21,23)
InChIKeyRUXYHHKCJOOYFV-UHFFFAOYSA-N
XLogP3.44
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25038009
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25049539
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25043711
2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 71300028
(2R)-2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 92674258
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 99949700
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide
CID 25049208
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide
CID 2939890
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide
CID 25043701
2-(2-methylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 43885240
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide (CID 25042188) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is CCC(SC1=NCCS1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is RUXYHHKCJOOYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S3/c1-2-15(27-18-20-11-12-26-18)17(23)21-13-6-8-14(9-7-13)28(24,25)22-16-5-3-4-10-19-16/h3-10,15H,2,11-12H2,1H3,(H,19,22)(H,21,23).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 436.58 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 25042188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).