2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C20H17F3N4O4S2 — CID 135485204

IUPAC2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(=O)[nH]c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C20H17F3N4O4S2/c1-12-5-7-15(8-6-12)33(30,31)27-16-10-17(28)26-19(25-16)32-11-18(29)24-14-4-2-3-13(9-14)20(21,22)23/h2-10H,11H2,1H3,(H,24,29)(H2,25,26,27,28)
InChIKeyARIVYUPSNMDYPA-UHFFFAOYSA-N
MW498.51 g/mol
LogP3.63
Rot. Bonds7

About 2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 135485204) has the molecular formula C20H17F3N4O4S2 and a molecular weight of 498.51 g/mol. Its IUPAC name is 2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID135485204
Molecular FormulaC20H17F3N4O4S2
Molecular Weight498.51 g/mol
Exact Mass498.06
IUPAC Name2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(=O)[nH]c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C20H17F3N4O4S2/c1-12-5-7-15(8-6-12)33(30,31)27-16-10-17(28)26-19(25-16)32-11-18(29)24-14-4-2-3-13(9-14)20(21,22)23/h2-10H,11H2,1H3,(H,24,29)(H2,25,26,27,28)
InChIKeyARIVYUPSNMDYPA-UHFFFAOYSA-N
XLogP3.63
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 2137859
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 135424357
2-({5-[(2,4-Dimethylphenyl)sulfonyl]-6-Oxo-1,6-Dihydropyrimidin-2-Yl}sulfanyl)-N-[2-(Trifluoromethyl)phenyl]acetamide
CID 50744391
2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 2137143
N-(2,4-Difluorophenyl)-2-{[5-(2,5-dimethylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-YL]sulfanyl}acetamide
CID 2137863
N-(3,4-dimethylphenyl)-2-({5-[(4-isopropylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}thio)acetamide
CID 16010539
2-[(4-hydroxy-5-methyl-6-oxo-1-phenyl-1,6-dihydro-2-pyrimidinyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135399402
N-(4-ethylphenyl)-2-({4-hydroxy-6-[(phenylsulfonyl)amino]-2-pyrimidinyl}sulfanyl)acetamide
CID 135455145
N-(2-chlorophenyl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfonyl]amino}-2-pyrimidinyl)sulfanyl]acetamide
CID 135460620
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135512255
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 135435281
2-[[5-cyano-4-(4-methylphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 172055173

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 135485204) is 2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(S(=O)(=O)Nc2cc(=O)[nH]c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ARIVYUPSNMDYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4S2/c1-12-5-7-15(8-6-12)33(30,31)27-16-10-17(28)26-19(25-16)32-11-18(29)24-14-4-2-3-13(9-14)20(21,22)23/h2-10H,11H2,1H3,(H,24,29)(H2,25,26,27,28).
What are the key properties of 2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 498.51 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methylphenyl)sulfonylamino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 135485204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).