2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C15H15F3N4O4S2 — CID 146025433

IUPAC2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H15F3N4O4S2/c16-15(17,18)11-7-12(23)22-14(21-11)27-8-13(24)20-6-5-9-1-3-10(4-2-9)28(19,25)26/h1-4,7H,5-6,8H2,(H,20,24)(H2,19,25,26)(H,21,22,23)
InChIKeyLLDANELMBHQDTC-UHFFFAOYSA-N
MW436.44 g/mol
LogP0.89
Rot. Bonds7

About 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 146025433) has the molecular formula C15H15F3N4O4S2 and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID146025433
Molecular FormulaC15H15F3N4O4S2
Molecular Weight436.44 g/mol
Exact Mass436.05
IUPAC Name2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H15F3N4O4S2/c16-15(17,18)11-7-12(23)22-14(21-11)27-8-13(24)20-6-5-9-1-3-10(4-2-9)28(19,25)26/h1-4,7H,5-6,8H2,(H,20,24)(H2,19,25,26)(H,21,22,23)
InChIKeyLLDANELMBHQDTC-UHFFFAOYSA-N
XLogP0.89
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide with MolForge

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Related Compounds

N-benzyl-2-((6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135561681
N-[2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-4-methylbenzenesulfonamide
CID 135966000
5-oxo-N-(4-sulfamoylphenethyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3333362
5-oxo-N-(4-sulfamoylphenethyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4217611
2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-sulfamoylphenethyl)acetamide
CID 16868017
Amino-p-[2-(6-hydroxy-4-oxo-1-thia-3a,7-diaza-5-indenylcarbonylamino)ethyl]phenyl(oxo)-lambda-sulfaniumolate
CID 135853322
2-(2-(benzylthio)-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N-(4-sulfamoylphenethyl)acetamide
CID 135952794
2-methylsulfonyl-N-[(1R)-2-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137162819
2-methylsulfonyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137162823
2-methylsulfonyl-N-[2-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137302092
2-methylsulfonyl-6-oxo-N-[1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137302124
2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide
CID 47081258

Frequently Asked Questions

What is the IUPAC name of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 146025433) is 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is LLDANELMBHQDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O4S2/c16-15(17,18)11-7-12(23)22-14(21-11)27-8-13(24)20-6-5-9-1-3-10(4-2-9)28(19,25)26/h1-4,7H,5-6,8H2,(H,20,24)(H2,19,25,26)(H,21,22,23).
What are the key properties of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 436.44 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 146025433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).