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

C16H14N4O3S3 — CID 2101798

IUPAC2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CSc1ccncc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H14N4O3S3/c21-15(11-25-13-5-7-17-8-6-13)19-12-1-3-14(4-2-12)26(22,23)20-16-18-9-10-24-16/h1-10H,11H2,(H,18,20)(H,19,21)
InChIKeyVOPCTCXGKDXNCV-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.07
Rot. Bonds7

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

2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 2101798) has the molecular formula C16H14N4O3S3 and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID2101798
Molecular FormulaC16H14N4O3S3
Molecular Weight406.51 g/mol
Exact Mass406.02
IUPAC Name2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CSc1ccncc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H14N4O3S3/c21-15(11-25-13-5-7-17-8-6-13)19-12-1-3-14(4-2-12)26(22,23)20-16-18-9-10-24-16/h1-10H,11H2,(H,18,20)(H,19,21)
InChIKeyVOPCTCXGKDXNCV-UHFFFAOYSA-N
XLogP3.07
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Acetylsulfathiazole
CID 67183
2-Chloro-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
CID 721139
4-((7-Oxo-7H-thiazolo(5,4-E)indol-8-ylmethyl)-amino)-N-pyridin-2-YL-benzenesulfonamide
CID 1712
1-(3-((4-Pyridin-2-ylpiperazin-1-yl)sulfonyl)phenyl)-3-(1,3-thiazol-2-yl)urea
CID 12087505
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 1010637
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
2,2-dimethyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 503707
2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 3148020
N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}butanamide
CID 903095
3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 784406
2-(pyridin-2-ylsulfanyl)-N-(4-sulfamoylphenyl)acetamide
CID 647669
3-(4-fluorobenzenesulfonyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]propanamide
CID 22581373

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 2101798) is 2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(CSc1ccncc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is VOPCTCXGKDXNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S3/c21-15(11-25-13-5-7-17-8-6-13)19-12-1-3-14(4-2-12)26(22,23)20-16-18-9-10-24-16/h1-10H,11H2,(H,18,20)(H,19,21).
What are the key properties of 2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 2101798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).