N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide

C16H16N4O3S2 — CID 21010459

IUPACN-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(Nc2ncnc3sc(C)c(C)c23)cc1
InChIInChI=1S/C16H16N4O3S2/c1-9-10(2)24-16-14(9)15(17-8-18-16)19-12-4-6-13(7-5-12)25(22,23)20-11(3)21/h4-8H,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyWYTGLBCCYFIKFW-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.88
Rot. Bonds4

About N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide

N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide (PubChem CID 21010459) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide
PubChem CID21010459
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC NameN-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(Nc2ncnc3sc(C)c(C)c23)cc1
InChIInChI=1S/C16H16N4O3S2/c1-9-10(2)24-16-14(9)15(17-8-18-16)19-12-4-6-13(7-5-12)25(22,23)20-11(3)21/h4-8H,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyWYTGLBCCYFIKFW-UHFFFAOYSA-N
XLogP2.88
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide
CID 8934330
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
methyl 5-methyl-4-(4-sulfamoylanilino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 21011133
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 757216
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 2791328
5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 705281
propan-2-yl 5-methyl-4-[4-(pyrimidin-2-ylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 21011370
N-[4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]acetamide
CID 6272660
4-[(Z)-N-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methylcarbonimidoyl]-N-propylbenzenesulfonamide
CID 9409163
propan-2-yl 5-methyl-4-[4-(pyridin-2-ylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 21009381
ethyl 4-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21010194

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide (CID 21010459) is N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(Nc2ncnc3sc(C)c(C)c23)cc1.
What is the InChIKey of N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide?
The InChIKey is WYTGLBCCYFIKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-9-10(2)24-16-14(9)15(17-8-18-16)19-12-4-6-13(7-5-12)25(22,23)20-11(3)21/h4-8H,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide?
N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide has a molecular weight of 376.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfonylacetamide is sourced from PubChem (CID 21010459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).