2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide

C12H20N4O5S — CID 24510969

IUPAC2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O5S/c1-5-13-10(17)8-16(6-2)22(20,21)9-7-14(3)12(19)15(4)11(9)18/h7H,5-6,8H2,1-4H3,(H,13,17)
InChIKeyJDYYVXGKWRDXHM-UHFFFAOYSA-N
MW332.38 g/mol
LogP-1.77
Rot. Bonds6

About 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide

2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide (PubChem CID 24510969) has the molecular formula C12H20N4O5S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide
PubChem CID24510969
Molecular FormulaC12H20N4O5S
Molecular Weight332.38 g/mol
Exact Mass332.12
IUPAC Name2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O5S/c1-5-13-10(17)8-16(6-2)22(20,21)9-7-14(3)12(19)15(4)11(9)18/h7H,5-6,8H2,1-4H3,(H,13,17)
InChIKeyJDYYVXGKWRDXHM-UHFFFAOYSA-N
XLogP-1.77
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 5-1.77
H-Bond Donors ≤ 51
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)sulfonyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide (CID 24510969) is 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide?
The InChIKey is JDYYVXGKWRDXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O5S/c1-5-13-10(17)8-16(6-2)22(20,21)9-7-14(3)12(19)15(4)11(9)18/h7H,5-6,8H2,1-4H3,(H,13,17).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide?
2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-ethylamino]-N-ethylacetamide has a molecular weight of 332.38 g/mol, XLogP of -1.77, 6 rotatable bonds, 1 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)sulfonyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 24510969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).