2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide

C25H24N4O2S — CID 42892624

IUPAC2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C25H24N4O2S/c1-18(14-15-19-9-4-2-5-10-19)27-22(30)17-32-25-28-23-21(13-8-16-26-23)24(31)29(25)20-11-6-3-7-12-20/h2-13,16,18H,14-15,17H2,1H3,(H,27,30)
InChIKeyANWOACLVFURWFD-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.01
Rot. Bonds8

About 2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide

2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 42892624) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
PubChem CID42892624
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C25H24N4O2S/c1-18(14-15-19-9-4-2-5-10-19)27-22(30)17-32-25-28-23-21(13-8-16-26-23)24(31)29(25)20-11-6-3-7-12-20/h2-13,16,18H,14-15,17H2,1H3,(H,27,30)
InChIKeyANWOACLVFURWFD-UHFFFAOYSA-N
XLogP4.01
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3376172
N-cyclopropyl-2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17438808
2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 38834993
N-(2-methoxyphenyl)-2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 20879263
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2624250
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 42902692
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 18147602
N-[(2R)-1-hydroxypropan-2-yl]-2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 40612898
2-[3-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 20917916
N-[(2R)-4-phenylbutan-2-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42427746
N-methyl-3-[[2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 38834950
2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 42935818

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide (CID 42892624) is 2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is ANWOACLVFURWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-18(14-15-19-9-4-2-5-10-19)27-22(30)17-32-25-28-23-21(13-8-16-26-23)24(31)29(25)20-11-6-3-7-12-20/h2-13,16,18H,14-15,17H2,1H3,(H,27,30).
What are the key properties of 2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide?
2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 444.56 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 42892624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).