N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide

C24H23N3O2S — CID 25479631

IUPACN-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCC(C)[C@@H](NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O)c1ccccc1
InChIInChI=1S/C24H23N3O2S/c1-16(2)22(18-11-7-4-8-12-18)26-21(28)14-27-15-25-19-13-20(30-23(19)24(27)29)17-9-5-3-6-10-17/h3-13,15-16,22H,14H2,1-2H3,(H,26,28)/t22-/m1/s1
InChIKeyWWVDOOAEWWTISW-JOCHJYFZSA-N
MW417.53 g/mol
LogP4.64
Rot. Bonds6

About N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide

N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 25479631) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID25479631
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCC(C)[C@@H](NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O)c1ccccc1
InChIInChI=1S/C24H23N3O2S/c1-16(2)22(18-11-7-4-8-12-18)26-21(28)14-27-15-25-19-13-20(30-23(19)24(27)29)17-9-5-3-6-10-17/h3-13,15-16,22H,14H2,1-2H3,(H,26,28)/t22-/m1/s1
InChIKeyWWVDOOAEWWTISW-JOCHJYFZSA-N
XLogP4.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7636682
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 55602689
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8626048
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-methylacetamide
CID 7803603
N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 51286317
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 39826529
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287316
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51212553
3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 55496829
2-[[2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide
CID 8626032
N-(2-ethylphenyl)-2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 7636955

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide (CID 25479631) is N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide is CC(C)[C@@H](NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O)c1ccccc1.
What is the InChIKey of N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is WWVDOOAEWWTISW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-16(2)22(18-11-7-4-8-12-18)26-21(28)14-27-15-25-19-13-20(30-23(19)24(27)29)17-9-5-3-6-10-17/h3-13,15-16,22H,14H2,1-2H3,(H,26,28)/t22-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide?
N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 25479631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).