N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide

C23H24N4O4S — CID 135447431

IUPACN-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)n1
InChIInChI=1S/C23H24N4O4S/c1-3-6-17-13-20(28)27-23(25-17)32-14-21(29)24-16-11-9-15(10-12-16)22(30)26-18-7-4-5-8-19(18)31-2/h4-5,7-13H,3,6,14H2,1-2H3,(H,24,29)(H,26,30)(H,25,27,28)
InChIKeyFIAZBVGOXBXHPW-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.71
Rot. Bonds9

About N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 135447431) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID135447431
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)n1
InChIInChI=1S/C23H24N4O4S/c1-3-6-17-13-20(28)27-23(25-17)32-14-21(29)24-16-11-9-15(10-12-16)22(30)26-18-7-4-5-8-19(18)31-2/h4-5,7-13H,3,6,14H2,1-2H3,(H,24,29)(H,26,30)(H,25,27,28)
InChIKeyFIAZBVGOXBXHPW-UHFFFAOYSA-N
XLogP3.71
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide (CID 135447431) is N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is FIAZBVGOXBXHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-3-6-17-13-20(28)27-23(25-17)32-14-21(29)24-16-11-9-15(10-12-16)22(30)26-18-7-4-5-8-19(18)31-2/h4-5,7-13H,3,6,14H2,1-2H3,(H,24,29)(H,26,30)(H,25,27,28).
What are the key properties of N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 452.54 g/mol, XLogP of 3.71, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 135447431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).