N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide

C25H28N4O3S — CID 135546910

IUPACN-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1OC)CC2
InChIInChI=1S/C25H28N4O3S/c1-3-17-8-4-6-10-20(17)26-23(30)16-33-25-27-21-12-13-29(15-19(21)24(31)28-25)14-18-9-5-7-11-22(18)32-2/h4-11H,3,12-16H2,1-2H3,(H,26,30)(H,27,28,31)
InChIKeyIMXHNLMYMKTCRC-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.63
Rot. Bonds8

About N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide

N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 135546910) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID135546910
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1OC)CC2
InChIInChI=1S/C25H28N4O3S/c1-3-17-8-4-6-10-20(17)26-23(30)16-33-25-27-21-12-13-29(15-19(21)24(31)28-25)14-18-9-5-7-11-22(18)32-2/h4-11H,3,12-16H2,1-2H3,(H,26,30)(H,27,28,31)
InChIKeyIMXHNLMYMKTCRC-UHFFFAOYSA-N
XLogP3.63
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide (CID 135546910) is N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide is CCc1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CN(Cc1ccccc1OC)CC2.
What is the InChIKey of N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is IMXHNLMYMKTCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-3-17-8-4-6-10-20(17)26-23(30)16-33-25-27-21-12-13-29(15-19(21)24(31)28-25)14-18-9-5-7-11-22(18)32-2/h4-11H,3,12-16H2,1-2H3,(H,26,30)(H,27,28,31).
What are the key properties of N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 464.59 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135546910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).