N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide

C23H26N4O4S — CID 55856478

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CSc1nc2ncccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C23H26N4O4S/c1-26(13-16-7-3-4-10-19(16)30-2)20(28)15-32-23-25-21-18(9-5-11-24-21)22(29)27(23)14-17-8-6-12-31-17/h3-5,7,9-11,17H,6,8,12-15H2,1-2H3
InChIKeyDRPROIDHKCJBSV-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.73
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide

N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 55856478) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
PubChem CID55856478
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CSc1nc2ncccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C23H26N4O4S/c1-26(13-16-7-3-4-10-19(16)30-2)20(28)15-32-23-25-21-18(9-5-11-24-21)22(29)27(23)14-17-8-6-12-31-17/h3-5,7,9-11,17H,6,8,12-15H2,1-2H3
InChIKeyDRPROIDHKCJBSV-UHFFFAOYSA-N
XLogP2.73
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
CID 60523268
N-[(2,3-dimethoxyphenyl)methyl]-2-[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-methylacetamide
CID 25324453
N-(2-methylphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 51427048
2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 4828639
N,N-dimethyl-4-[[2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzamide
CID 55856605
N,N-dimethyl-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7869023
N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 3145208
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 40918667
N-(3-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylbutanamide
CID 6622950
2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
CID 60522963
N-cyclohexyl-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515514
2-[(2-ethoxyphenyl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7869185

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide (CID 55856478) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide is COc1ccccc1CN(C)C(=O)CSc1nc2ncccc2c(=O)n1CC1CCCO1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is DRPROIDHKCJBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-26(13-16-7-3-4-10-19(16)30-2)20(28)15-32-23-25-21-18(9-5-11-24-21)22(29)27(23)14-17-8-6-12-31-17/h3-5,7,9-11,17H,6,8,12-15H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 454.55 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-[4-oxo-3-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 55856478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).