3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide

C19H21N3O2S — CID 51309703

IUPAC3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide
SMILESCC(CCc1ccccc1)NC(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C19H21N3O2S/c1-14(7-8-15-5-3-2-4-6-15)21-17(23)9-11-22-13-20-18-16(19(22)24)10-12-25-18/h2-6,10,12-14H,7-9,11H2,1H3,(H,21,23)
InChIKeyFQSXYCATMLFMBJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.99
Rot. Bonds7

About 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide (PubChem CID 51309703) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide
PubChem CID51309703
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide
SMILESCC(CCc1ccccc1)NC(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C19H21N3O2S/c1-14(7-8-15-5-3-2-4-6-15)21-17(23)9-11-22-13-20-18-16(19(22)24)10-12-25-18/h2-6,10,12-14H,7-9,11H2,1H3,(H,21,23)
InChIKeyFQSXYCATMLFMBJ-UHFFFAOYSA-N
XLogP2.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 120614267
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52509917
N-[4-(furan-2-yl)butan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 47010073
3-methyl-N-[4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]phenyl]butanamide
CID 33030651
3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 30848863
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 25495928
N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2707946
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 119608766
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 39467752
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 55482148
N-[2-(4-methoxyphenyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 47017281

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide?
The IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide (CID 51309703) is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide?
The canonical SMILES for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide is CC(CCc1ccccc1)NC(=O)CCn1cnc2sccc2c1=O.
What is the InChIKey of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide?
The InChIKey is FQSXYCATMLFMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14(7-8-15-5-3-2-4-6-15)21-17(23)9-11-22-13-20-18-16(19(22)24)10-12-25-18/h2-6,10,12-14H,7-9,11H2,1H3,(H,21,23).
What are the key properties of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide?
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide has a molecular weight of 355.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide is sourced from PubChem (CID 51309703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).