2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide

C24H26N4O3S — CID 71625350

IUPAC2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide
SMILESCCCNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2S(=O)(=O)CCC3)cc1
InChIInChI=1S/C24H26N4O3S/c1-2-14-25-21(29)16-17-10-12-19(13-11-17)26-24-22-20(9-6-15-32(22,30)31)27-23(28-24)18-7-4-3-5-8-18/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3,(H,25,29)(H,26,27,28)
InChIKeySNGBOYNSHPJXDH-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.68
Rot. Bonds7

About 2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide

2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide (PubChem CID 71625350) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide
PubChem CID71625350
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide
SMILESCCCNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2S(=O)(=O)CCC3)cc1
InChIInChI=1S/C24H26N4O3S/c1-2-14-25-21(29)16-17-10-12-19(13-11-17)26-24-22-20(9-6-15-32(22,30)31)27-23(28-24)18-7-4-3-5-8-18/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3,(H,25,29)(H,26,27,28)
InChIKeySNGBOYNSHPJXDH-UHFFFAOYSA-N
XLogP3.68
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide with MolForge

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Related Compounds

N-(3,5-dimethylbenzyl)-3-(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-2,6-diaminopyrimidin-4-yl)propanamide
CID 11410373
N-Tert-Butyl-2-{4-[(5,5-Dioxido-2-Phenyl-7,8-Dihydro-6h-Thiopyrano[3,2-D]pyrimidin-4-Yl)amino]phenyl}acetamide
CID 71463568
N-(2,2-dimethylpropyl)-2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 71625461
N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 72697151
1-[4-[4-(benzenesulfonylmethyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-methylurea
CID 57427639
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl]phenyl]urea
CID 62705171
2-(4-((5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino)phenyl)acetic acid
CID 71624964
2-(4-((5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino)phenyl)acetamide
CID 71625092
1-ethyl-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl]phenyl]urea
CID 62705170
1-ethyl-3-[4-(4-morpholin-4-yl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)phenyl]urea
CID 62707452
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,5-dioxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-yl]phenyl]urea
CID 70684413
2-[4-[(2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 71624963

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide?
The IUPAC name of 2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide (CID 71625350) is 2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide?
The canonical SMILES for 2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide is CCCNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2S(=O)(=O)CCC3)cc1.
What is the InChIKey of 2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide?
The InChIKey is SNGBOYNSHPJXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-2-14-25-21(29)16-17-10-12-19(13-11-17)26-24-22-20(9-6-15-32(22,30)31)27-23(28-24)18-7-4-3-5-8-18/h3-5,7-8,10-13H,2,6,9,14-16H2,1H3,(H,25,29)(H,26,27,28).
What are the key properties of 2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide?
2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide has a molecular weight of 450.56 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]-N-propylacetamide is sourced from PubChem (CID 71625350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).