N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide

C20H22FN5O3S — CID 123611251

IUPACN-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide
SMILESCC(=O)NCC(CNC(C)=O)Oc1cc(F)ccc1Nc1ncnc2scc(C)c12
InChIInChI=1S/C20H22FN5O3S/c1-11-9-30-20-18(11)19(24-10-25-20)26-16-5-4-14(21)6-17(16)29-15(7-22-12(2)27)8-23-13(3)28/h4-6,9-10,15H,7-8H2,1-3H3,(H,22,27)(H,23,28)(H,24,25,26)
InChIKeyFGEHHOHZQOFQJW-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.90
Rot. Bonds8

About N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide

N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide (PubChem CID 123611251) has the molecular formula C20H22FN5O3S and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide
PubChem CID123611251
Molecular FormulaC20H22FN5O3S
Molecular Weight431.49 g/mol
Exact Mass431.14
IUPAC NameN-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide
SMILESCC(=O)NCC(CNC(C)=O)Oc1cc(F)ccc1Nc1ncnc2scc(C)c12
InChIInChI=1S/C20H22FN5O3S/c1-11-9-30-20-18(11)19(24-10-25-20)26-16-5-4-14(21)6-17(16)29-15(7-22-12(2)27)8-23-13(3)28/h4-6,9-10,15H,7-8H2,1-3H3,(H,22,27)(H,23,28)(H,24,25,26)
InChIKeyFGEHHOHZQOFQJW-UHFFFAOYSA-N
XLogP2.90
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide with MolForge

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Related Compounds

N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 123715931
4-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 58413374
4-[2-(1-carboxyethoxy)-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 141309514
tert-butyl N-[(2S)-2-[2-[(6-carbamoyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-5-fluorophenoxy]propyl]carbamate
CID 58413323
4-[4-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yloxy]anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 58413372
4-[2-(2,2-difluoroethoxy)-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 91808099
4-[2-[1-(2-aminoethylamino)-1-oxopropan-2-yl]oxy-4-fluoroanilino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 58413233
methyl 4-[2-[1-[amino(ethyl)amino]-1-oxopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 67394223
(2-amino-2-oxoethyl) 4-[2-[1-(2-aminoethylamino)-1-oxopropan-2-yl]oxy-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 67393685
N-[2-[2-[[7-[(dimethyl-λ4-sulfanylidene)amino]-5-methylquinazolin-4-yl]amino]-5-fluorophenoxy]ethyl]acetamide;formaldehyde
CID 144764594
methyl 4-(4-fluoro-2-methoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58413295
N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 57422571

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide?
The IUPAC name of N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide (CID 123611251) is N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide.
What is the SMILES notation for N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide?
The canonical SMILES for N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide is CC(=O)NCC(CNC(C)=O)Oc1cc(F)ccc1Nc1ncnc2scc(C)c12.
What is the InChIKey of N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide?
The InChIKey is FGEHHOHZQOFQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3S/c1-11-9-30-20-18(11)19(24-10-25-20)26-16-5-4-14(21)6-17(16)29-15(7-22-12(2)27)8-23-13(3)28/h4-6,9-10,15H,7-8H2,1-3H3,(H,22,27)(H,23,28)(H,24,25,26).
What are the key properties of N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide?
N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide has a molecular weight of 431.49 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-2-[5-fluoro-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenoxy]propyl]acetamide is sourced from PubChem (CID 123611251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).