2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide

C20H21N5O2S — CID 92626378

IUPAC2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
SMILESCC(C)n1c([C@@H](C)NC(=O)Cn2cnc3sccc3c2=O)nc2ccccc21
InChIInChI=1S/C20H21N5O2S/c1-12(2)25-16-7-5-4-6-15(16)23-18(25)13(3)22-17(26)10-24-11-21-19-14(20(24)27)8-9-28-19/h4-9,11-13H,10H2,1-3H3,(H,22,26)/t13-/m1/s1
InChIKeyJEEWTSNGZQEPOG-CYBMUJFWSA-N
MW395.49 g/mol
LogP3.27
Rot. Bonds5

About 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide

2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 92626378) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID92626378
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
SMILESCC(C)n1c([C@@H](C)NC(=O)Cn2cnc3sccc3c2=O)nc2ccccc21
InChIInChI=1S/C20H21N5O2S/c1-12(2)25-16-7-5-4-6-15(16)23-18(25)13(3)22-17(26)10-24-11-21-19-14(20(24)27)8-9-28-19/h4-9,11-13H,10H2,1-3H3,(H,22,26)/t13-/m1/s1
InChIKeyJEEWTSNGZQEPOG-CYBMUJFWSA-N
XLogP3.27
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9463568
(2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 80749574
N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 125343401
N-[(2S)-1-methoxypropan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 40898847
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 4592510
N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 751172
(2S)-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]pentanoic acid
CID 107564302
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-propan-2-ylpyrazin-2-yl)acetamide
CID 138051400
N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 47010073
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 18116306
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 35236684

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide (CID 92626378) is 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide is CC(C)n1c([C@@H](C)NC(=O)Cn2cnc3sccc3c2=O)nc2ccccc21.
What is the InChIKey of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is JEEWTSNGZQEPOG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-12(2)25-16-7-5-4-6-15(16)23-18(25)13(3)22-17(26)10-24-11-21-19-14(20(24)27)8-9-28-19/h4-9,11-13H,10H2,1-3H3,(H,22,26)/t13-/m1/s1.
What are the key properties of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 395.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 92626378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).