3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide

C15H13N3O3S2 — CID 7615443

IUPAC3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ncnc2sccc12
InChIInChI=1S/C15H13N3O3S2/c19-13(7-9-23(20,21)11-4-2-1-3-5-11)18-14-12-6-8-22-15(12)17-10-16-14/h1-6,8,10H,7,9H2,(H,16,17,18,19)
InChIKeyFQQZFUZCKXGZJJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.49
Rot. Bonds5

About 3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide

3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide (PubChem CID 7615443) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide
PubChem CID7615443
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ncnc2sccc12
InChIInChI=1S/C15H13N3O3S2/c19-13(7-9-23(20,21)11-4-2-1-3-5-11)18-14-12-6-8-22-15(12)17-10-16-14/h1-6,8,10H,7,9H2,(H,16,17,18,19)
InChIKeyFQQZFUZCKXGZJJ-UHFFFAOYSA-N
XLogP2.49
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615469
2-(1,3-dioxoisoindol-2-yl)-N-thieno[2,3-d]pyrimidin-4-ylacetamide
CID 7615382
2,2-diphenyl-N-thieno[2,3-d]pyrimidin-4-ylacetamide
CID 7615397
3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide
CID 3163450
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 17393142
3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63820393
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
3-(benzenesulfonyl)-N-benzo[e][1,3]benzothiazol-2-ylpropanamide
CID 7202553
2-nitro-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615411

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide (CID 7615443) is 3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ncnc2sccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide?
The InChIKey is FQQZFUZCKXGZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c19-13(7-9-23(20,21)11-4-2-1-3-5-11)18-14-12-6-8-22-15(12)17-10-16-14/h1-6,8,10H,7,9H2,(H,16,17,18,19).
What are the key properties of 3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide?
3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide is sourced from PubChem (CID 7615443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).