N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

C23H18N4O3S2 — CID 71601253

IUPACN-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(-c2ccoc2)cn1
InChIInChI=1S/C23H18N4O3S2/c28-20(26-19-7-6-15(12-24-19)16-8-10-30-13-16)14-32-23-25-18-9-11-31-21(18)22(29)27(23)17-4-2-1-3-5-17/h1-8,10,12-13H,9,11,14H2,(H,24,26,28)
InChIKeyPJRBBQYCEYMVCL-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.27
Rot. Bonds6

About N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 71601253) has the molecular formula C23H18N4O3S2 and a molecular weight of 462.56 g/mol. Its IUPAC name is N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID71601253
Molecular FormulaC23H18N4O3S2
Molecular Weight462.56 g/mol
Exact Mass462.08
IUPAC NameN-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(-c2ccoc2)cn1
InChIInChI=1S/C23H18N4O3S2/c28-20(26-19-7-6-15(12-24-19)16-8-10-30-13-16)14-32-23-25-18-9-11-31-21(18)22(29)27(23)17-4-2-1-3-5-17/h1-8,10,12-13H,9,11,14H2,(H,24,26,28)
InChIKeyPJRBBQYCEYMVCL-UHFFFAOYSA-N
XLogP4.27
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 71601253) is N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(-c2ccoc2)cn1.
What is the InChIKey of N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is PJRBBQYCEYMVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S2/c28-20(26-19-7-6-15(12-24-19)16-8-10-30-13-16)14-32-23-25-18-9-11-31-21(18)22(29)27(23)17-4-2-1-3-5-17/h1-8,10,12-13H,9,11,14H2,(H,24,26,28).
What are the key properties of N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 462.56 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 71601253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).