4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide

C15H14N4O3S2 — CID 7615360

IUPAC4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C15H14N4O3S2/c1-19(2)24(21,22)11-5-3-10(4-6-11)14(20)18-13-12-7-8-23-15(12)17-9-16-13/h3-9H,1-2H3,(H,16,17,18,20)
InChIKeyXIFSSCONTJASPG-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.19
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide

4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide (PubChem CID 7615360) has the molecular formula C15H14N4O3S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
PubChem CID7615360
Molecular FormulaC15H14N4O3S2
Molecular Weight362.44 g/mol
Exact Mass362.05
IUPAC Name4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C15H14N4O3S2/c1-19(2)24(21,22)11-5-3-10(4-6-11)14(20)18-13-12-7-8-23-15(12)17-9-16-13/h3-9H,1-2H3,(H,16,17,18,20)
InChIKeyXIFSSCONTJASPG-UHFFFAOYSA-N
XLogP2.19
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethylsulfonyl-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615469
4-(azepan-1-ylsulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615372
4-butoxy-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615356
ethyl 4-[4-(thieno[2,3-d]pyrimidin-4-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 44899558
N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2105110
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
3-(benzenesulfonyl)-N-thieno[2,3-d]pyrimidin-4-ylpropanamide
CID 7615443
4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 51315975
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543760
methyl 4-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate
CID 2453988

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide (CID 7615360) is 4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide?
The InChIKey is XIFSSCONTJASPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S2/c1-19(2)24(21,22)11-5-3-10(4-6-11)14(20)18-13-12-7-8-23-15(12)17-9-16-13/h3-9H,1-2H3,(H,16,17,18,20).
What are the key properties of 4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide?
4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide has a molecular weight of 362.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide is sourced from PubChem (CID 7615360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).