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

C19H18N4O2S3 — CID 2548143

IUPAC4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCc1nc(NCCc2ccc(S(N)(=O)=O)cc2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C19H18N4O2S3/c1-12-22-18(17-15(11-27-19(17)23-12)16-3-2-10-26-16)21-9-8-13-4-6-14(7-5-13)28(20,24)25/h2-7,10-11H,8-9H2,1H3,(H2,20,24,25)(H,21,22,23)
InChIKeyOFUVZDBIUXLSCC-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.03
Rot. Bonds6

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

4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 2548143) has the molecular formula C19H18N4O2S3 and a molecular weight of 430.58 g/mol. Its IUPAC name is 4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID2548143
Molecular FormulaC19H18N4O2S3
Molecular Weight430.58 g/mol
Exact Mass430.06
IUPAC Name4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCc1nc(NCCc2ccc(S(N)(=O)=O)cc2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C19H18N4O2S3/c1-12-22-18(17-15(11-27-19(17)23-12)16-3-2-10-26-16)21-9-8-13-4-6-14(7-5-13)28(20,24)25/h2-7,10-11H,8-9H2,1H3,(H2,20,24,25)(H,21,22,23)
InChIKeyOFUVZDBIUXLSCC-UHFFFAOYSA-N
XLogP4.03
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 2424566
3-methyl-4-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
CID 69405034
4-[2-[[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 2099789
4-[[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 58985681
3-methyl-1-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
CID 24899427
N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 28852901
4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 91793394
2-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11680593
2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 46991915
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
N-[2-(4-sulfamoylphenyl)ethyl]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270177

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide (CID 2548143) is 4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide is Cc1nc(NCCc2ccc(S(N)(=O)=O)cc2)c2c(-c3cccs3)csc2n1.
What is the InChIKey of 4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is OFUVZDBIUXLSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S3/c1-12-22-18(17-15(11-27-19(17)23-12)16-3-2-10-26-16)21-9-8-13-4-6-14(7-5-13)28(20,24)25/h2-7,10-11H,8-9H2,1H3,(H2,20,24,25)(H,21,22,23).
What are the key properties of 4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 430.58 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 2548143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).