2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C21H17FN4OS — CID 133476239

IUPAC2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCc1nc(NC(C(N)=O)c2ccc(F)cc2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C21H17FN4OS/c1-12-24-20(26-18(19(23)27)14-7-9-15(22)10-8-14)16-11-17(28-21(16)25-12)13-5-3-2-4-6-13/h2-11,18H,1H3,(H2,23,27)(H,24,25,26)
InChIKeyWGWWEPUCWKALBG-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.44
Rot. Bonds5

About 2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 133476239) has the molecular formula C21H17FN4OS and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID133476239
Molecular FormulaC21H17FN4OS
Molecular Weight392.46 g/mol
Exact Mass392.11
IUPAC Name2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCc1nc(NC(C(N)=O)c2ccc(F)cc2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C21H17FN4OS/c1-12-24-20(26-18(19(23)27)14-7-9-15(22)10-8-14)16-11-17(28-21(16)25-12)13-5-3-2-4-6-13/h2-11,18H,1H3,(H2,23,27)(H,24,25,26)
InChIKeyWGWWEPUCWKALBG-UHFFFAOYSA-N
XLogP4.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 133476239) is 2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is Cc1nc(NC(C(N)=O)c2ccc(F)cc2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is WGWWEPUCWKALBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4OS/c1-12-24-20(26-18(19(23)27)14-7-9-15(22)10-8-14)16-11-17(28-21(16)25-12)13-5-3-2-4-6-13/h2-11,18H,1H3,(H2,23,27)(H,24,25,26).
What are the key properties of 2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 392.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 133476239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).