2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C20H19F3N4O5S2 — CID 5177406

IUPAC2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H19F3N4O5S2/c1-12-17(34(30,31)27-5-7-32-8-6-27)16-18(33-12)24-11-26(19(16)29)10-15(28)25-14-4-2-3-13(9-14)20(21,22)23/h2-4,9,11H,5-8,10H2,1H3,(H,25,28)
InChIKeyNLUMMJOUALOCCG-UHFFFAOYSA-N
MW516.52 g/mol
LogP2.44
Rot. Bonds5

About 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 5177406) has the molecular formula C20H19F3N4O5S2 and a molecular weight of 516.52 g/mol. Its IUPAC name is 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID5177406
Molecular FormulaC20H19F3N4O5S2
Molecular Weight516.52 g/mol
Exact Mass516.07
IUPAC Name2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H19F3N4O5S2/c1-12-17(34(30,31)27-5-7-32-8-6-27)16-18(33-12)24-11-26(19(16)29)10-15(28)25-14-4-2-3-13(9-14)20(21,22)23/h2-4,9,11H,5-8,10H2,1H3,(H,25,28)
InChIKeyNLUMMJOUALOCCG-UHFFFAOYSA-N
XLogP2.44
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.52
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 44636522
2-[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 40824856
N-(3-methoxyphenyl)-2-[6-methyl-4-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthieno[2,3-d]pyrimidin-3-yl]acetamide
CID 46246220
5-methyl-4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 40823874
2-[5-methyl-4-oxo-6-(pyrrolidine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3443759
N-[3-(diethylamino)propyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 126478860
4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 126478726
N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 5128720
2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478883
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 3592262
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 15994654
5-methyl-4-oxo-3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 126479873

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 5177406) is 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NLUMMJOUALOCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O5S2/c1-12-17(34(30,31)27-5-7-32-8-6-27)16-18(33-12)24-11-26(19(16)29)10-15(28)25-14-4-2-3-13(9-14)20(21,22)23/h2-4,9,11H,5-8,10H2,1H3,(H,25,28).
What are the key properties of 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 516.52 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 5177406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).