N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide

C19H19N3O4S3 — CID 58961400

IUPACN-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)CSC3=NCCS3)c2)cc1
InChIInChI=1S/C19H19N3O4S3/c1-13(23)21-15-5-7-17(8-6-15)29(25,26)22-16-4-2-3-14(11-16)18(24)12-28-19-20-9-10-27-19/h2-8,11,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyYUYUXJAQDAVWCV-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.46
Rot. Bonds7

About N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 58961400) has the molecular formula C19H19N3O4S3 and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID58961400
Molecular FormulaC19H19N3O4S3
Molecular Weight449.58 g/mol
Exact Mass449.05
IUPAC NameN-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)CSC3=NCCS3)c2)cc1
InChIInChI=1S/C19H19N3O4S3/c1-13(23)21-15-5-7-17(8-6-15)29(25,26)22-16-4-2-3-14(11-16)18(24)12-28-19-20-9-10-27-19/h2-8,11,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyYUYUXJAQDAVWCV-UHFFFAOYSA-N
XLogP3.46
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

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CID 31580637
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CID 9454413
N-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 82252971
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
3-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
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N-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylsulfamoyl)phenyl]acetamide
CID 156601231
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
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CID 2114640
N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 2985508
N-[4-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 108783814
N-[4-[[3-[methyl(methylsulfonyl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 1306752
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CID 20705319

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide (CID 58961400) is N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)CSC3=NCCS3)c2)cc1.
What is the InChIKey of N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is YUYUXJAQDAVWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S3/c1-13(23)21-15-5-7-17(8-6-15)29(25,26)22-16-4-2-3-14(11-16)18(24)12-28-19-20-9-10-27-19/h2-8,11,22H,9-10,12H2,1H3,(H,21,23).
What are the key properties of N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 449.58 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 58961400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).