N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C27H22N4OS — CID 39082204

IUPACN-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESO=C(CNc1ncnc2sc(-c3ccccc3)cc12)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H22N4OS/c32-25(31(22-14-8-3-9-15-22)18-20-10-4-1-5-11-20)17-28-26-23-16-24(21-12-6-2-7-13-21)33-27(23)30-19-29-26/h1-16,19H,17-18H2,(H,28,29,30)
InChIKeyFFBAULQTKVCFGQ-UHFFFAOYSA-N
MW450.57 g/mol
LogP6.00
Rot. Bonds7

About N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 39082204) has the molecular formula C27H22N4OS and a molecular weight of 450.57 g/mol. Its IUPAC name is N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID39082204
Molecular FormulaC27H22N4OS
Molecular Weight450.57 g/mol
Exact Mass450.15
IUPAC NameN-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESO=C(CNc1ncnc2sc(-c3ccccc3)cc12)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H22N4OS/c32-25(31(22-14-8-3-9-15-22)18-20-10-4-1-5-11-20)17-28-26-23-16-24(21-12-6-2-7-13-21)33-27(23)30-19-29-26/h1-16,19H,17-18H2,(H,28,29,30)
InChIKeyFFBAULQTKVCFGQ-UHFFFAOYSA-N
XLogP6.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.57
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 39082204) is N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is O=C(CNc1ncnc2sc(-c3ccccc3)cc12)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is FFBAULQTKVCFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4OS/c32-25(31(22-14-8-3-9-15-22)18-20-10-4-1-5-11-20)17-28-26-23-16-24(21-12-6-2-7-13-21)33-27(23)30-19-29-26/h1-16,19H,17-18H2,(H,28,29,30).
What are the key properties of N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 450.57 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 39082204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).