N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

C16H23N3O2S2 — CID 37058954

IUPACN-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCCC(C)(C)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C
InChIInChI=1S/C16H23N3O2S2/c1-7-16(4,5)18-11(20)8-22-15-17-13-12(14(21)19(15)6)9(2)10(3)23-13/h7-8H2,1-6H3,(H,18,20)
InChIKeyMTXDHWFSSXJAOV-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.01
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 37058954) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID37058954
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC NameN-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCCC(C)(C)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C
InChIInChI=1S/C16H23N3O2S2/c1-7-16(4,5)18-11(20)8-22-15-17-13-12(14(21)19(15)6)9(2)10(3)23-13/h7-8H2,1-6H3,(H,18,20)
InChIKeyMTXDHWFSSXJAOV-UHFFFAOYSA-N
XLogP3.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (CID 37058954) is N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is CCC(C)(C)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is MTXDHWFSSXJAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-7-16(4,5)18-11(20)8-22-15-17-13-12(14(21)19(15)6)9(2)10(3)23-13/h7-8H2,1-6H3,(H,18,20).
What are the key properties of N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 353.51 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 37058954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).