N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide

C23H26F2N4O3S — CID 75118750

IUPACN-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESCOc1ccccc1CN1CCC2NC(SCC(=O)Nc3ccc(F)cc3F)NC(=O)C2C1
InChIInChI=1S/C23H26F2N4O3S/c1-32-20-5-3-2-4-14(20)11-29-9-8-18-16(12-29)22(31)28-23(27-18)33-13-21(30)26-19-7-6-15(24)10-17(19)25/h2-7,10,16,18,23,27H,8-9,11-13H2,1H3,(H,26,30)(H,28,31)
InChIKeyKNLNMIYSVKNMME-UHFFFAOYSA-N
MW476.55 g/mol
LogP2.54
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide

N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 75118750) has the molecular formula C23H26F2N4O3S and a molecular weight of 476.55 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID75118750
Molecular FormulaC23H26F2N4O3S
Molecular Weight476.55 g/mol
Exact Mass476.17
IUPAC NameN-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESCOc1ccccc1CN1CCC2NC(SCC(=O)Nc3ccc(F)cc3F)NC(=O)C2C1
InChIInChI=1S/C23H26F2N4O3S/c1-32-20-5-3-2-4-14(20)11-29-9-8-18-16(12-29)22(31)28-23(27-18)33-13-21(30)26-19-7-6-15(24)10-17(19)25/h2-7,10,16,18,23,27H,8-9,11-13H2,1H3,(H,26,30)(H,28,31)
InChIKeyKNLNMIYSVKNMME-UHFFFAOYSA-N
XLogP2.54
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[(6-benzyl-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 78262195
6-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one
CID 74361542
N-(2,4-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000719
N-(2,4-difluorophenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184474
2-[[6-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CID 73220655
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
ethyl 4-[[2-[[4-oxo-6-(2-phenylethyl)-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
CID 78262212
1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 15989563
1-N-(2,4-difluorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136506
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519
N-(2,4-difluorophenyl)-2-[(5S)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691558
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731416

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide (CID 75118750) is N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide is COc1ccccc1CN1CCC2NC(SCC(=O)Nc3ccc(F)cc3F)NC(=O)C2C1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is KNLNMIYSVKNMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O3S/c1-32-20-5-3-2-4-14(20)11-29-9-8-18-16(12-29)22(31)28-23(27-18)33-13-21(30)26-19-7-6-15(24)10-17(19)25/h2-7,10,16,18,23,27H,8-9,11-13H2,1H3,(H,26,30)(H,28,31).
What are the key properties of N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 476.55 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 75118750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).