4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide

C20H18N4O2S2 — CID 175315699

IUPAC4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide
SMILESCC(N)(c1ccc(S(N)(=O)=O)cc1)c1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C20H18N4O2S2/c1-20(21,14-7-9-15(10-8-14)28(22,25)26)18-17-16(13-5-3-2-4-6-13)11-27-19(17)24-12-23-18/h2-12H,21H2,1H3,(H2,22,25,26)
InChIKeyZSBBIVVBYNYYCT-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.23
Rot. Bonds4

About 4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide

4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide (PubChem CID 175315699) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide
PubChem CID175315699
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC Name4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide
SMILESCC(N)(c1ccc(S(N)(=O)=O)cc1)c1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C20H18N4O2S2/c1-20(21,14-7-9-15(10-8-14)28(22,25)26)18-17-16(13-5-3-2-4-6-13)11-27-19(17)24-12-23-18/h2-12H,21H2,1H3,(H2,22,25,26)
InChIKeyZSBBIVVBYNYYCT-UHFFFAOYSA-N
XLogP3.23
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 3505680
2-methyl-N-thieno[2,3-d]pyrimidin-4-ylbenzenesulfonamide
CID 9267126
4-(2-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)ethyl)benzenesulfonamide
CID 2548270
6-Butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine
CID 90051604
6-Butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidine
CID 118050697
11,13-dimethyl-N-[(4-methylsulfonylphenyl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 132254953
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 141471202
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 141471209
4-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1276160
N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]benzenesulfonamide
CID 6539970
4-[4-(4-Fluoro-benzenesulfonyl)-piperazin-1-yl]-5,6-dimethyl-thieno[2,3-d]pyrimidine
CID 1466659
4-[2-(Thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzenesulfonamide
CID 2098617

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide (CID 175315699) is 4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide is CC(N)(c1ccc(S(N)(=O)=O)cc1)c1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of 4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is ZSBBIVVBYNYYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-20(21,14-7-9-15(10-8-14)28(22,25)26)18-17-16(13-5-3-2-4-6-13)11-27-19(17)24-12-23-18/h2-12H,21H2,1H3,(H2,22,25,26).
What are the key properties of 4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide?
4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 410.52 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 175315699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).