3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide

C23H19FN4O2S2 — CID 27354310

IUPAC3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1
InChIInChI=1S/C23H19FN4O2S2/c24-16-8-6-15(7-9-16)18-12-31-22-21(18)23(27-14-26-22)32-13-20(30)28(11-10-19(25)29)17-4-2-1-3-5-17/h1-9,12,14H,10-11,13H2,(H2,25,29)
InChIKeyRCYLQQKYSXKHKM-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.50
Rot. Bonds8

About 3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide

3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide (PubChem CID 27354310) has the molecular formula C23H19FN4O2S2 and a molecular weight of 466.56 g/mol. Its IUPAC name is 3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide
PubChem CID27354310
Molecular FormulaC23H19FN4O2S2
Molecular Weight466.56 g/mol
Exact Mass466.09
IUPAC Name3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1
InChIInChI=1S/C23H19FN4O2S2/c24-16-8-6-15(7-9-16)18-12-31-22-21(18)23(27-14-26-22)32-13-20(30)28(11-10-19(25)29)17-4-2-1-3-5-17/h1-9,12,14H,10-11,13H2,(H2,25,29)
InChIKeyRCYLQQKYSXKHKM-UHFFFAOYSA-N
XLogP4.50
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[benzyl-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]propanamide
CID 24570591
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1139710
1-(4-fluorophenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 1169587
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 725229
2-[2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide
CID 16571414
3-(N-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]anilino)propanamide
CID 24527121
ethyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 725222
N-tert-butyl-2-[[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]-methylamino]acetamide
CID 42000688
1-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 7674173
1-(5-fluoro-2-methoxyphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 1169601
5-(4-fluorophenyl)-4-[2-[(S)-phenylsulfinyl]ethylsulfanyl]thieno[2,3-d]pyrimidine
CID 97016349
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55365766

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide?
The IUPAC name of 3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide (CID 27354310) is 3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide.
What is the SMILES notation for 3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide?
The canonical SMILES for 3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide is NC(=O)CCN(C(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1.
What is the InChIKey of 3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide?
The InChIKey is RCYLQQKYSXKHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S2/c24-16-8-6-15(7-9-16)18-12-31-22-21(18)23(27-14-26-22)32-13-20(30)28(11-10-19(25)29)17-4-2-1-3-5-17/h1-9,12,14H,10-11,13H2,(H2,25,29).
What are the key properties of 3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide?
3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide has a molecular weight of 466.56 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]anilino)propanamide is sourced from PubChem (CID 27354310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).