2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine

C16H16FN3O2S2 — CID 133404764

IUPAC2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCS(=O)(=O)c2ccc(F)cc2)c2ccsc2n1
InChIInChI=1S/C16H16FN3O2S2/c1-2-14-19-15(13-7-9-23-16(13)20-14)18-8-10-24(21,22)12-5-3-11(17)4-6-12/h3-7,9H,2,8,10H2,1H3,(H,18,19,20)
InChIKeyIBTYZBVPAAXJKY-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.28
Rot. Bonds6

About 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133404764) has the molecular formula C16H16FN3O2S2 and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133404764
Molecular FormulaC16H16FN3O2S2
Molecular Weight365.46 g/mol
Exact Mass365.07
IUPAC Name2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCS(=O)(=O)c2ccc(F)cc2)c2ccsc2n1
InChIInChI=1S/C16H16FN3O2S2/c1-2-14-19-15(13-7-9-23-16(13)20-14)18-8-10-24(21,22)12-5-3-11(17)4-6-12/h3-7,9H,2,8,10H2,1H3,(H,18,19,20)
InChIKeyIBTYZBVPAAXJKY-UHFFFAOYSA-N
XLogP3.28
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 133423697
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193882
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404655
2-ethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403928
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325366
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133405891
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 133415292

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 133404764) is 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCCS(=O)(=O)c2ccc(F)cc2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IBTYZBVPAAXJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S2/c1-2-14-19-15(13-7-9-23-16(13)20-14)18-8-10-24(21,22)12-5-3-11(17)4-6-12/h3-7,9H,2,8,10H2,1H3,(H,18,19,20).
What are the key properties of 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 365.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133404764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).