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

C18H19N3O2S2 — CID 24512946

IUPACN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)Nn2cnc3sc(C)c(C)c3c2=O)c1
InChIInChI=1S/C18H19N3O2S2/c1-10-5-6-11(2)14(7-10)24-8-15(22)20-21-9-19-17-16(18(21)23)12(3)13(4)25-17/h5-7,9H,8H2,1-4H3,(H,20,22)
InChIKeyDKPGYLKOHSELKX-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.55
Rot. Bonds4

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

N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 24512946) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide
PubChem CID24512946
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)Nn2cnc3sc(C)c(C)c3c2=O)c1
InChIInChI=1S/C18H19N3O2S2/c1-10-5-6-11(2)14(7-10)24-8-15(22)20-21-9-19-17-16(18(21)23)12(3)13(4)25-17/h5-7,9H,8H2,1-4H3,(H,20,22)
InChIKeyDKPGYLKOHSELKX-UHFFFAOYSA-N
XLogP3.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide
CID 17418394
N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide
CID 2425616
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 24601343
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24521210
2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26664386
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 24601600
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24522158
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 55370221
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9370444
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 7104056
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 46529527
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43387165

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide (CID 24512946) is N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide is Cc1ccc(C)c(SCC(=O)Nn2cnc3sc(C)c(C)c3c2=O)c1.
What is the InChIKey of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is DKPGYLKOHSELKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-10-5-6-11(2)14(7-10)24-8-15(22)20-21-9-19-17-16(18(21)23)12(3)13(4)25-17/h5-7,9H,8H2,1-4H3,(H,20,22).
What are the key properties of N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 373.50 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 24512946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).