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

C24H23N3O3S2 — CID 1132350

IUPACN-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCc1sc2nc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)n(C)c(=O)c2c1C
InChIInChI=1S/C24H23N3O3S2/c1-15-16(2)32-22-21(15)23(29)27(3)24(26-22)31-14-20(28)25-18-9-11-19(12-10-18)30-13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,25,28)
InChIKeyIHTUUGYHFKVNCC-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.92
Rot. Bonds7

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

N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 1132350) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID1132350
Molecular FormulaC24H23N3O3S2
Molecular Weight465.60 g/mol
Exact Mass465.12
IUPAC NameN-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCc1sc2nc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)n(C)c(=O)c2c1C
InChIInChI=1S/C24H23N3O3S2/c1-15-16(2)32-22-21(15)23(29)27(3)24(26-22)31-14-20(28)25-18-9-11-19(12-10-18)30-13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,25,28)
InChIKeyIHTUUGYHFKVNCC-UHFFFAOYSA-N
XLogP4.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide with MolForge

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Related Compounds

2-[(11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 40949384
N-benzyl-2-[[2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 34931233
N-(3-methylsulfanylphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 31673599
N-(4-acetylphenyl)-2-(3-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2080880
N-[(3,4-dimethylphenyl)carbamoyl]-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 31802109
N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 989668
methyl 4-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 39922147
2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 3487178
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 2343294
N-methyl-N-phenyl-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2642310
N-(4-acetylphenyl)-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 1206737
N-(4-ethoxyphenyl)-2-(5-methyl-4-oxo-3-phenyl-6-propylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 126128394

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (CID 1132350) is N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is Cc1sc2nc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)n(C)c(=O)c2c1C.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is IHTUUGYHFKVNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-15-16(2)32-22-21(15)23(29)27(3)24(26-22)31-14-20(28)25-18-9-11-19(12-10-18)30-13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,25,28).
What are the key properties of N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 465.60 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1132350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).