N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C18H19N3OS2 — CID 2707946

IUPACN-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CSc1ncnc2sccc12
InChIInChI=1S/C18H19N3OS2/c1-13(7-8-14-5-3-2-4-6-14)21-16(22)11-24-18-15-9-10-23-17(15)19-12-20-18/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyCGRWCLYSDNDUPR-CYBMUJFWSA-N
MW357.50 g/mol
LogP3.92
Rot. Bonds7

About N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 2707946) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID2707946
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CSc1ncnc2sccc12
InChIInChI=1S/C18H19N3OS2/c1-13(7-8-14-5-3-2-4-6-14)21-16(22)11-24-18-15-9-10-23-17(15)19-12-20-18/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyCGRWCLYSDNDUPR-CYBMUJFWSA-N
XLogP3.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889497
N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 9389594
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2707837
N-[[(2R)-butan-2-yl]carbamoyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889493
N-(4-phenylbutan-2-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
CID 4809706
N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 41078126
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide
CID 51309703
2-[[5-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 25361105
N-(3-methyl-1,2-oxazol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17450231
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 41061274
[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735709
N-benzhydryl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17480949

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 2707946) is N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is C[C@H](CCc1ccccc1)NC(=O)CSc1ncnc2sccc12.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is CGRWCLYSDNDUPR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-13(7-8-14-5-3-2-4-6-14)21-16(22)11-24-18-15-9-10-23-17(15)19-12-20-18/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 357.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 2707946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).