N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C15H18N4O3S — CID 2566797

IUPACN-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(=O)NCc2ccco2)nc(C)c1C
InChIInChI=1S/C15H18N4O3S/c1-9-10(2)17-15(18-11(9)3)23-8-13(20)19-14(21)16-7-12-5-4-6-22-12/h4-6H,7-8H2,1-3H3,(H2,16,19,20,21)
InChIKeyMSIZRXSQYIXZDY-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.11
Rot. Bonds5

About N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2566797) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2566797
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(=O)NCc2ccco2)nc(C)c1C
InChIInChI=1S/C15H18N4O3S/c1-9-10(2)17-15(18-11(9)3)23-8-13(20)19-14(21)16-7-12-5-4-6-22-12/h4-6H,7-8H2,1-3H3,(H2,16,19,20,21)
InChIKeyMSIZRXSQYIXZDY-UHFFFAOYSA-N
XLogP2.11
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(Furan-2-ylmethyl)-3-((4-(methyl(propyl)amino)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanamide
CID 155541857
2-(4,6-diaminopyrimidin-2-ylthio)-N-(2-furylmethyl)acetamide
CID 2148140
2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-furylmethyl)acetamide
CID 588017
Acetamide, 2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-(2-furanylmethyl)-
CID 2302362
N-(2-furylmethyl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]propanamide
CID 653926
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 648071
3-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-phenethyl-propionamide
CID 649170
4-Amino-2-{[(furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-pyrimidine-5-carboxylic acid ethyl ester
CID 653779
2-[4-(4-Fluoro-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 1146170
2-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-phenethyl-acetamide
CID 1152569
N-(furan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2105425
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2612432

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 2566797) is N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)NC(=O)NCc2ccco2)nc(C)c1C.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is MSIZRXSQYIXZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9-10(2)17-15(18-11(9)3)23-8-13(20)19-14(21)16-7-12-5-4-6-22-12/h4-6H,7-8H2,1-3H3,(H2,16,19,20,21).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 334.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2566797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).