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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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).