3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide

C16H15N3O3S — CID 4583351

IUPAC3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-2-4-11(5-3-10)17-13(20)6-8-19-15(21)14-12(7-9-23-14)18-16(19)22/h2-5,7,9H,6,8H2,1H3,(H,17,20)(H,18,22)
InChIKeyLCYJFRUYZGIOQC-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.09
Rot. Bonds4

About 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide

3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide (PubChem CID 4583351) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide
PubChem CID4583351
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-2-4-11(5-3-10)17-13(20)6-8-19-15(21)14-12(7-9-23-14)18-16(19)22/h2-5,7,9H,6,8H2,1H3,(H,17,20)(H,18,22)
InChIKeyLCYJFRUYZGIOQC-UHFFFAOYSA-N
XLogP2.09
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Hydroxy-6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 11514445
Fen1-IN-5
CID 11611180
Fen1-IN-2
CID 11654052
2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 658113
1-Benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 44392260
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
6-phenyl-3-(prop-2-en-1-yl)-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 2471294
3-(3-Methoxy-propyl)-1-(2-methyl-benzyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 6486348
3-(3-Methoxy-propyl)-1-(3-methyl-benzyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 6486354
3-(3-Methoxypropyl)-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 6486361

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide (CID 4583351) is 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc1.
What is the InChIKey of 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is LCYJFRUYZGIOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-2-4-11(5-3-10)17-13(20)6-8-19-15(21)14-12(7-9-23-14)18-16(19)22/h2-5,7,9H,6,8H2,1H3,(H,17,20)(H,18,22).
What are the key properties of 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide?
3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 329.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 4583351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).