2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide

C23H20N4O2S2 — CID 1373327

IUPAC2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide
SMILESCc1cc(SCC(=O)Nc2nc(CC(=O)Nc3ccccc3)cs2)nc2ccccc12
InChIInChI=1S/C23H20N4O2S2/c1-15-11-22(26-19-10-6-5-9-18(15)19)30-14-21(29)27-23-25-17(13-31-23)12-20(28)24-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,24,28)(H,25,27,29)
InChIKeyQOENCXSUNQLGCG-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.91
Rot. Bonds7

About 2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide

2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide (PubChem CID 1373327) has the molecular formula C23H20N4O2S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide
PubChem CID1373327
Molecular FormulaC23H20N4O2S2
Molecular Weight448.57 g/mol
Exact Mass448.10
IUPAC Name2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide
SMILESCc1cc(SCC(=O)Nc2nc(CC(=O)Nc3ccccc3)cs2)nc2ccccc12
InChIInChI=1S/C23H20N4O2S2/c1-15-11-22(26-19-10-6-5-9-18(15)19)30-14-21(29)27-23-25-17(13-31-23)12-20(28)24-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,24,28)(H,25,27,29)
InChIKeyQOENCXSUNQLGCG-UHFFFAOYSA-N
XLogP4.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39765940
N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4798917
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5034835
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 2401714
N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide
CID 25408330
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide (CID 1373327) is 2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide is Cc1cc(SCC(=O)Nc2nc(CC(=O)Nc3ccccc3)cs2)nc2ccccc12.
What is the InChIKey of 2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide?
The InChIKey is QOENCXSUNQLGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S2/c1-15-11-22(26-19-10-6-5-9-18(15)19)30-14-21(29)27-23-25-17(13-31-23)12-20(28)24-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,24,28)(H,25,27,29).
What are the key properties of 2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide?
2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide has a molecular weight of 448.57 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide is sourced from PubChem (CID 1373327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).