2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide

C21H24N4O2S — CID 42935818

IUPAC2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(C)Cn1c(SCC(=O)NC(C)c2ccccc2)nc2ncccc2c1=O
InChIInChI=1S/C21H24N4O2S/c1-14(2)12-25-20(27)17-10-7-11-22-19(17)24-21(25)28-13-18(26)23-15(3)16-8-5-4-6-9-16/h4-11,14-15H,12-13H2,1-3H3,(H,23,26)
InChIKeyHENWESPJIDVOKK-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.42
Rot. Bonds7

About 2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide

2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 42935818) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID42935818
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(C)Cn1c(SCC(=O)NC(C)c2ccccc2)nc2ncccc2c1=O
InChIInChI=1S/C21H24N4O2S/c1-14(2)12-25-20(27)17-10-7-11-22-19(17)24-21(25)28-13-18(26)23-15(3)16-8-5-4-6-9-16/h4-11,14-15H,12-13H2,1-3H3,(H,23,26)
InChIKeyHENWESPJIDVOKK-UHFFFAOYSA-N
XLogP3.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 42892344
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 7455033
N-[(2S)-3-methylbutan-2-yl]-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7456164
2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 38835366
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 9360621
2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 42892624
N-carbamoyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4004415
N-(ethylcarbamoyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4014846
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 46672895
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2087664
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide (CID 42935818) is 2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide is CC(C)Cn1c(SCC(=O)NC(C)c2ccccc2)nc2ncccc2c1=O.
What is the InChIKey of 2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is HENWESPJIDVOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14(2)12-25-20(27)17-10-7-11-22-19(17)24-21(25)28-13-18(26)23-15(3)16-8-5-4-6-9-16/h4-11,14-15H,12-13H2,1-3H3,(H,23,26).
What are the key properties of 2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide?
2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 396.52 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 42935818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).