2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide

C19H17ClN2OS — CID 143751615

IUPAC2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide
SMILESNC(=O)Cc1[nH]c2cccc(Cl)c2c(=S)c1CCc1ccccc1
InChIInChI=1S/C19H17ClN2OS/c20-14-7-4-8-15-18(14)19(24)13(16(22-15)11-17(21)23)10-9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,21,23)(H,22,24)
InChIKeyQOZBSTXEAUDKII-UHFFFAOYSA-N
MW356.88 g/mol
LogP4.36
Rot. Bonds5

About 2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide

2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide (PubChem CID 143751615) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is 2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide
PubChem CID143751615
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide
SMILESNC(=O)Cc1[nH]c2cccc(Cl)c2c(=S)c1CCc1ccccc1
InChIInChI=1S/C19H17ClN2OS/c20-14-7-4-8-15-18(14)19(24)13(16(22-15)11-17(21)23)10-9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,21,23)(H,22,24)
InChIKeyQOZBSTXEAUDKII-UHFFFAOYSA-N
XLogP4.36
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 67922081
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2-(2-amino-2-oxoethyl)-6-(4-phenylbutanoyl)-1H-indole-3-carboxamide
CID 161113640
2-[2-(carboxymethyl)-4-hydroxy-1H-indol-3-yl]acetic acid
CID 134812921
2-benzyl-3-chlorobenzamide
CID 23225157
2-(2-chloro-1H-indol-3-yl)acetamide
CID 21191872
3,5-dichloro-4-(2-phenylethyl)phenol
CID 67216100
4-ethyl-2-phenyl-1H-indole-3-carboxamide
CID 71082978
4-(2-phenylethyl)benzamide
CID 23130460
2-(7-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
CID 43659819
1-(3,4-dichloro-1H-indol-2-yl)ethanone
CID 115036474
3-(aminomethyl)-5-chloro-1H-quinazoline-2,4-dione
CID 117262244

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide?
The IUPAC name of 2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide (CID 143751615) is 2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide.
What is the SMILES notation for 2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide?
The canonical SMILES for 2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide is NC(=O)Cc1[nH]c2cccc(Cl)c2c(=S)c1CCc1ccccc1.
What is the InChIKey of 2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide?
The InChIKey is QOZBSTXEAUDKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c20-14-7-4-8-15-18(14)19(24)13(16(22-15)11-17(21)23)10-9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,21,23)(H,22,24).
What are the key properties of 2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide?
2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide has a molecular weight of 356.88 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(2-phenylethyl)-4-sulfanylidene-1H-quinolin-2-yl]acetamide is sourced from PubChem (CID 143751615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).