N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide

C26H24N4O3S — CID 67531475

IUPACN-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2sc3c(ccc(=O)n3-c3ccccc3)c2C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H24N4O3S/c1-28-14-16-29(17-15-28)26(33)27-24-22(23(32)18-8-4-2-5-9-18)20-12-13-21(31)30(25(20)34-24)19-10-6-3-7-11-19/h2-13H,14-17H2,1H3,(H,27,33)
InChIKeyLTAPBONCURWMSS-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.06
Rot. Bonds4

About N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide

N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide (PubChem CID 67531475) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide
PubChem CID67531475
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2sc3c(ccc(=O)n3-c3ccccc3)c2C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H24N4O3S/c1-28-14-16-29(17-15-28)26(33)27-24-22(23(32)18-8-4-2-5-9-18)20-12-13-21(31)30(25(20)34-24)19-10-6-3-7-11-19/h2-13H,14-17H2,1H3,(H,27,33)
InChIKeyLTAPBONCURWMSS-UHFFFAOYSA-N
XLogP4.06
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide (CID 67531475) is N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2sc3c(ccc(=O)n3-c3ccccc3)c2C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide?
The InChIKey is LTAPBONCURWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-28-14-16-29(17-15-28)26(33)27-24-22(23(32)18-8-4-2-5-9-18)20-12-13-21(31)30(25(20)34-24)19-10-6-3-7-11-19/h2-13H,14-17H2,1H3,(H,27,33).
What are the key properties of N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide?
N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 67531475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).