2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H13F3N4O5S — CID 47065206

IUPAC2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1cc(S(=O)(=O)NCC(=O)NCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H13F3N4O5S/c1-16-4-6(8(19)17(2)9(16)20)23(21,22)15-3-7(18)14-5-10(11,12)13/h4,15H,3,5H2,1-2H3,(H,14,18)
InChIKeyVYYFZDMODBMJPR-UHFFFAOYSA-N
MW358.30 g/mol
LogP-1.96
Rot. Bonds5

About 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47065206) has the molecular formula C10H13F3N4O5S and a molecular weight of 358.30 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47065206
Molecular FormulaC10H13F3N4O5S
Molecular Weight358.30 g/mol
Exact Mass358.06
IUPAC Name2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1cc(S(=O)(=O)NCC(=O)NCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H13F3N4O5S/c1-16-4-6(8(19)17(2)9(16)20)23(21,22)15-3-7(18)14-5-10(11,12)13/h4,15H,3,5H2,1-2H3,(H,14,18)
InChIKeyVYYFZDMODBMJPR-UHFFFAOYSA-N
XLogP-1.96
TPSA119.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 47065206) is 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cn1cc(S(=O)(=O)NCC(=O)NCC(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VYYFZDMODBMJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O5S/c1-16-4-6(8(19)17(2)9(16)20)23(21,22)15-3-7(18)14-5-10(11,12)13/h4,15H,3,5H2,1-2H3,(H,14,18).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 358.30 g/mol, XLogP of -1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47065206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).