2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C16H22N4O3S — CID 17432716

IUPAC2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H22N4O3S/c1-4-20(11-14(21)17-9-13-6-5-7-24-13)10-12-8-15(22)19(3)16(23)18(12)2/h5-8H,4,9-11H2,1-3H3,(H,17,21)
InChIKeyKFHIMAALLCGLON-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.28
Rot. Bonds7

About 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17432716) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID17432716
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H22N4O3S/c1-4-20(11-14(21)17-9-13-6-5-7-24-13)10-12-8-15(22)19(3)16(23)18(12)2/h5-8H,4,9-11H2,1-3H3,(H,17,21)
InChIKeyKFHIMAALLCGLON-UHFFFAOYSA-N
XLogP0.28
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.28
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-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 17432716) is 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)Cc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KFHIMAALLCGLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-4-20(11-14(21)17-9-13-6-5-7-24-13)10-12-8-15(22)19(3)16(23)18(12)2/h5-8H,4,9-11H2,1-3H3,(H,17,21).
What are the key properties of 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 350.44 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17432716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).