N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

C20H17N3O3S2 — CID 2567762

IUPACN-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NCc2ccco2)nc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C20H17N3O3S2/c1-23-19(25)15-10-16(13-6-3-2-4-7-13)28-18(15)22-20(23)27-12-17(24)21-11-14-8-5-9-26-14/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyZGQLJQHRWUACGQ-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.66
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 2567762) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID2567762
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NCc2ccco2)nc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C20H17N3O3S2/c1-23-19(25)15-10-16(13-6-3-2-4-7-13)28-18(15)22-20(23)27-12-17(24)21-11-14-8-5-9-26-14/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyZGQLJQHRWUACGQ-UHFFFAOYSA-N
XLogP3.66
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-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

2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 35772636
2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772562
2-(3-hydroxypropylsulfanyl)-3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 110877011
N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 29384962
2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3493910
2-(2-hydroxy-3-phenylpropyl)sulfanyl-3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 166190215
N-(furan-2-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1263321
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 1281399
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-(2-methylpropyl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7558194
N-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2660206
2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide
CID 16591322

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (CID 2567762) is N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is Cn1c(SCC(=O)NCc2ccco2)nc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is ZGQLJQHRWUACGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-23-19(25)15-10-16(13-6-3-2-4-7-13)28-18(15)22-20(23)27-12-17(24)21-11-14-8-5-9-26-14/h2-10H,11-12H2,1H3,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 411.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2567762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).