N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide

C20H16N4O2S — CID 10177542

IUPACN-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2cnc3ccsc3c2=O)cc1
InChIInChI=1S/C20H16N4O2S/c21-15-3-1-2-4-16(15)23-19(25)14-7-5-13(6-8-14)11-24-12-22-17-9-10-27-18(17)20(24)26/h1-10,12H,11,21H2,(H,23,25)
InChIKeySFJIWDMUUXXASN-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.34
Rot. Bonds4

About N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide

N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide (PubChem CID 10177542) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
PubChem CID10177542
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2cnc3ccsc3c2=O)cc1
InChIInChI=1S/C20H16N4O2S/c21-15-3-1-2-4-16(15)23-19(25)14-7-5-13(6-8-14)11-24-12-22-17-9-10-27-18(17)20(24)26/h1-10,12H,11,21H2,(H,23,25)
InChIKeySFJIWDMUUXXASN-UHFFFAOYSA-N
XLogP3.34
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide (CID 10177542) is N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(Cn2cnc3ccsc3c2=O)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide?
The InChIKey is SFJIWDMUUXXASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c21-15-3-1-2-4-16(15)23-19(25)14-7-5-13(6-8-14)11-24-12-22-17-9-10-27-18(17)20(24)26/h1-10,12H,11,21H2,(H,23,25).
What are the key properties of N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide has a molecular weight of 376.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide is sourced from PubChem (CID 10177542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).