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

C20H18N4O2S2 — CID 2424566

IUPAC4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C20H18N4O2S2/c21-28(25,26)16-8-6-14(7-9-16)10-11-22-19-18-17(15-4-2-1-3-5-15)12-27-20(18)24-13-23-19/h1-9,12-13H,10-11H2,(H2,21,25,26)(H,22,23,24)
InChIKeyCMDOKUDYRPGIRL-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.66
Rot. Bonds6

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

4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 2424566) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID2424566
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC Name4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C20H18N4O2S2/c21-28(25,26)16-8-6-14(7-9-16)10-11-22-19-18-17(15-4-2-1-3-5-15)12-27-20(18)24-13-23-19/h1-9,12-13H,10-11H2,(H2,21,25,26)(H,22,23,24)
InChIKeyCMDOKUDYRPGIRL-UHFFFAOYSA-N
XLogP3.66
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylphenyl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 705842
4-[2-[[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 2099789
4-[1-amino-1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]benzenesulfonamide
CID 175315699
4-[[(5-bromothieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 156539093
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
methyl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 4963724
5-(4-methoxyphenyl)-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 46347943
5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 3151763
4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 2548143
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
4-oxo-4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]but-2-enoic acid
CID 2796110
2-chloro-N-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 46443926

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide (CID 2424566) is 4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2ncnc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of 4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is CMDOKUDYRPGIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c21-28(25,26)16-8-6-14(7-9-16)10-11-22-19-18-17(15-4-2-1-3-5-15)12-27-20(18)24-13-23-19/h1-9,12-13H,10-11H2,(H2,21,25,26)(H,22,23,24).
What are the key properties of 4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 410.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 2424566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).