4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide

C17H17N3O2S — CID 7615356

IUPAC4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C17H17N3O2S/c1-2-3-9-22-13-6-4-12(5-7-13)16(21)20-15-14-8-10-23-17(14)19-11-18-15/h4-8,10-11H,2-3,9H2,1H3,(H,18,19,20,21)
InChIKeyHBVQHWHWHVFCEG-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.12
Rot. Bonds6

About 4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide

4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide (PubChem CID 7615356) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide.

Molecular Properties

Compound Name4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
PubChem CID7615356
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C17H17N3O2S/c1-2-3-9-22-13-6-4-12(5-7-13)16(21)20-15-14-8-10-23-17(14)19-11-18-15/h4-8,10-11H,2-3,9H2,1H3,(H,18,19,20,21)
InChIKeyHBVQHWHWHVFCEG-UHFFFAOYSA-N
XLogP4.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615360
ethyl 4-[4-(thieno[2,3-d]pyrimidin-4-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 44899558
methyl 4-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate
CID 2453988
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
5-(4-methoxyphenyl)-N-thieno[2,3-d]pyrimidin-4-yl-1,2-oxazole-3-carboxamide
CID 172898245
4-pentoxybenzohydrazide
CID 2727702
4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 7376074
4-butoxy-N-(1H-imidazol-2-yl)benzamide
CID 60968641
N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide
CID 17012565
4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787952
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide?
The IUPAC name of 4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide (CID 7615356) is 4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide.
What is the SMILES notation for 4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide?
The canonical SMILES for 4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide is CCCCOc1ccc(C(=O)Nc2ncnc3sccc23)cc1.
What is the InChIKey of 4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide?
The InChIKey is HBVQHWHWHVFCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-3-9-22-13-6-4-12(5-7-13)16(21)20-15-14-8-10-23-17(14)19-11-18-15/h4-8,10-11H,2-3,9H2,1H3,(H,18,19,20,21).
What are the key properties of 4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide?
4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide has a molecular weight of 327.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide is sourced from PubChem (CID 7615356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).