(2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C20H14FN3OS2 — CID 7889230

IUPAC(2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](Sc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C20H14FN3OS2/c21-14-6-8-15(9-7-14)24-18(25)17(13-4-2-1-3-5-13)27-20-16-10-11-26-19(16)22-12-23-20/h1-12,17H,(H,24,25)/t17-/m1/s1
InChIKeyCDQQIRGTYUZGPP-QGZVFWFLSA-N
MW395.48 g/mol
LogP5.30
Rot. Bonds5

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

(2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 7889230) has the molecular formula C20H14FN3OS2 and a molecular weight of 395.48 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID7889230
Molecular FormulaC20H14FN3OS2
Molecular Weight395.48 g/mol
Exact Mass395.06
IUPAC Name(2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](Sc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C20H14FN3OS2/c21-14-6-8-15(9-7-14)24-18(25)17(13-4-2-1-3-5-13)27-20-16-10-11-26-19(16)22-12-23-20/h1-12,17H,(H,24,25)/t17-/m1/s1
InChIKeyCDQQIRGTYUZGPP-QGZVFWFLSA-N
XLogP5.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2549535
(2S)-N,2-diphenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 94546891
(2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7824763
N-(4-methylphenyl)-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-2-phenylacetamide
CID 51319733
(2S)-N-(4-fluoro-3-nitrophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 7889386
(2S)-N-(2-methoxyphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanamide
CID 2633299
2,2-diphenyl-N-thieno[2,3-d]pyrimidin-4-ylacetamide
CID 7615397
(2S)-N-(4-fluorophenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 41141675
N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78847132
(2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-quinazolin-4-ylsulfanylacetamide
CID 2411275
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 41061274
N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 4880072

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 7889230) is (2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is O=C(Nc1ccc(F)cc1)[C@H](Sc1ncnc2sccc12)c1ccccc1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is CDQQIRGTYUZGPP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H14FN3OS2/c21-14-6-8-15(9-7-14)24-18(25)17(13-4-2-1-3-5-13)27-20-16-10-11-26-19(16)22-12-23-20/h1-12,17H,(H,24,25)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
(2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 395.48 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 7889230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).