5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide

C17H17N3O3S — CID 22422855

IUPAC5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide
SMILESO=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccccc1
InChIInChI=1S/C17H17N3O3S/c21-14(18-12-6-2-1-3-7-12)8-4-5-10-20-16(22)15-13(9-11-24-15)19-17(20)23/h1-3,6-7,9,11H,4-5,8,10H2,(H,18,21)(H,19,23)
InChIKeyDSCUOEQSCOLVLW-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.56
Rot. Bonds6

About 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide

5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide (PubChem CID 22422855) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide.

Molecular Properties

Compound Name5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide
PubChem CID22422855
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide
SMILESO=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccccc1
InChIInChI=1S/C17H17N3O3S/c21-14(18-12-6-2-1-3-7-12)8-4-5-10-20-16(22)15-13(9-11-24-15)19-17(20)23/h1-3,6-7,9,11H,4-5,8,10H2,(H,18,21)(H,19,23)
InChIKeyDSCUOEQSCOLVLW-UHFFFAOYSA-N
XLogP2.56
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-fluorophenyl)butanamide
CID 4583348
6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide
CID 4191578
N-[(2-chlorophenyl)methyl]-4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)butanamide
CID 22422840
5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]pentanamide
CID 2135221
4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-methoxyethyl)butanamide
CID 15987974
6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[2-(4-methylphenyl)ethyl]hexanamide
CID 22423579
3-[5-(4-benzylpiperazin-1-yl)-5-oxopentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 16811818
ethyl 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)pentanoate
CID 22449763
3-(2-hydroxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 2732863
6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-ethylhexyl)hexanamide
CID 15987960
3-benzyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686605
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide?
The IUPAC name of 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide (CID 22422855) is 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide.
What is the SMILES notation for 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide?
The canonical SMILES for 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide is O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)Nc1ccccc1.
What is the InChIKey of 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide?
The InChIKey is DSCUOEQSCOLVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-14(18-12-6-2-1-3-7-12)8-4-5-10-20-16(22)15-13(9-11-24-15)19-17(20)23/h1-3,6-7,9,11H,4-5,8,10H2,(H,18,21)(H,19,23).
What are the key properties of 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide?
5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide has a molecular weight of 343.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide is sourced from PubChem (CID 22422855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).