(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide

C23H21N3O2S2 — CID 41152724

IUPAC(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)[C@H](Sc2ncnc3sc(C)c(C)c23)c2ccccc2)c1
InChIInChI=1S/C23H21N3O2S2/c1-14-15(2)29-22-19(14)23(25-13-24-22)30-20(16-8-5-4-6-9-16)21(27)26-17-10-7-11-18(12-17)28-3/h4-13,20H,1-3H3,(H,26,27)/t20-/m1/s1
InChIKeyLJULYLDRTGZORX-HXUWFJFHSA-N
MW435.57 g/mol
LogP5.79
Rot. Bonds6

About (2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide

(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide (PubChem CID 41152724) has the molecular formula C23H21N3O2S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide
PubChem CID41152724
Molecular FormulaC23H21N3O2S2
Molecular Weight435.57 g/mol
Exact Mass435.11
IUPAC Name(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)[C@H](Sc2ncnc3sc(C)c(C)c23)c2ccccc2)c1
InChIInChI=1S/C23H21N3O2S2/c1-14-15(2)29-22-19(14)23(25-13-24-22)30-20(16-8-5-4-6-9-16)21(27)26-17-10-7-11-18(12-17)28-3/h4-13,20H,1-3H3,(H,26,27)/t20-/m1/s1
InChIKeyLJULYLDRTGZORX-HXUWFJFHSA-N
XLogP5.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide with MolForge

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Related Compounds

(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-2-phenylacetamide
CID 2404351
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-2-phenylacetamide
CID 5123248
(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-phenylpropanamide
CID 2612450
2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 24686582
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 9272755
N-(3-methoxyphenyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 3937862
N-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 5110828
N-(3-methoxyphenyl)-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 55520817
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 7755983
N-(3-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 15945250
N-(3-methoxyphenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 4675162
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 16516619

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide (CID 41152724) is (2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide is COc1cccc(NC(=O)[C@H](Sc2ncnc3sc(C)c(C)c23)c2ccccc2)c1.
What is the InChIKey of (2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide?
The InChIKey is LJULYLDRTGZORX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21N3O2S2/c1-14-15(2)29-22-19(14)23(25-13-24-22)30-20(16-8-5-4-6-9-16)21(27)26-17-10-7-11-18(12-17)28-3/h4-13,20H,1-3H3,(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide?
(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide has a molecular weight of 435.57 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 41152724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).