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

C15H13N3O3S2 — CID 7615469

IUPAC4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C15H13N3O3S2/c1-2-23(20,21)11-5-3-10(4-6-11)14(19)18-13-12-7-8-22-15(12)17-9-16-13/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKeyJYSWGIRICCZTPU-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.74
Rot. Bonds4

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

4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide (PubChem CID 7615469) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
PubChem CID7615469
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C15H13N3O3S2/c1-2-23(20,21)11-5-3-10(4-6-11)14(19)18-13-12-7-8-22-15(12)17-9-16-13/h3-9H,2H2,1H3,(H,16,17,18,19)
InChIKeyJYSWGIRICCZTPU-UHFFFAOYSA-N
XLogP2.74
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615360
4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615356
4-(azepan-1-ylsulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615372
ethyl 4-[4-(thieno[2,3-d]pyrimidin-4-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 44899558
4-nitro-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615339
4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295292
3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide
CID 7615443
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
N-(5,6-dibromo-3-pyridinyl)-4-ethylsulfonylbenzamide
CID 71853902
methyl 4-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate
CID 2453988
2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid
CID 61265918
N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9450255

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide?
The IUPAC name of 4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide (CID 7615469) is 4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide?
The canonical SMILES for 4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide?
The InChIKey is JYSWGIRICCZTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-2-23(20,21)11-5-3-10(4-6-11)14(19)18-13-12-7-8-22-15(12)17-9-16-13/h3-9H,2H2,1H3,(H,16,17,18,19).
What are the key properties of 4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide?
4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide is sourced from PubChem (CID 7615469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).