N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide

C26H27FN5O2S+ — CID 2576140

IUPACN-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)c1nc(C[NH+]2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C26H26FN5O2S/c1-31(16-23(33)28-20-9-5-8-19(27)14-20)25-24-21(18-6-3-2-4-7-18)17-35-26(24)30-22(29-25)15-32-10-12-34-13-11-32/h2-9,14,17H,10-13,15-16H2,1H3,(H,28,33)/p+1
InChIKeyZWNTVVPOHVXSEV-UHFFFAOYSA-O
MW492.60 g/mol
LogP2.99
Rot. Bonds7

About N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide

N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide (PubChem CID 2576140) has the molecular formula C26H27FN5O2S+ and a molecular weight of 492.60 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide
PubChem CID2576140
Molecular FormulaC26H27FN5O2S+
Molecular Weight492.60 g/mol
Exact Mass492.19
IUPAC NameN-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)c1nc(C[NH+]2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C26H26FN5O2S/c1-31(16-23(33)28-20-9-5-8-19(27)14-20)25-24-21(18-6-3-2-4-7-18)17-35-26(24)30-22(29-25)15-32-10-12-34-13-11-32/h2-9,14,17H,10-13,15-16H2,1H3,(H,28,33)/p+1
InChIKeyZWNTVVPOHVXSEV-UHFFFAOYSA-O
XLogP2.99
TPSA71.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2654034
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 27794928
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide
CID 2465262
N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 2576837
2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2534913
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 30795401
N-(3-fluorophenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
CID 52905917
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(4-fluorophenyl)-2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195432
N-(2-methoxyethyl)-2-[methyl-[2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 24508399
N-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
CID 30849373

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide (CID 2576140) is N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide is CN(CC(=O)Nc1cccc(F)c1)c1nc(C[NH+]2CCOCC2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is ZWNTVVPOHVXSEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H26FN5O2S/c1-31(16-23(33)28-20-9-5-8-19(27)14-20)25-24-21(18-6-3-2-4-7-18)17-35-26(24)30-22(29-25)15-32-10-12-34-13-11-32/h2-9,14,17H,10-13,15-16H2,1H3,(H,28,33)/p+1.
What are the key properties of N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 492.60 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[methyl-[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 2576140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).