N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide

C21H20N2O2S — CID 3207929

IUPACN-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
SMILESCCc1cc2ccccc2nc1SCC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H20N2O2S/c1-3-15-12-17-6-4-5-7-19(17)23-21(15)26-13-20(25)16-8-10-18(11-9-16)22-14(2)24/h4-12H,3,13H2,1-2H3,(H,22,24)
InChIKeyXDICTLTXUTUACO-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.73
Rot. Bonds6

About N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide

N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide (PubChem CID 3207929) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
PubChem CID3207929
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
SMILESCCc1cc2ccccc2nc1SCC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H20N2O2S/c1-3-15-12-17-6-4-5-7-19(17)23-21(15)26-13-20(25)16-8-10-18(11-9-16)22-14(2)24/h4-12H,3,13H2,1-2H3,(H,22,24)
InChIKeyXDICTLTXUTUACO-UHFFFAOYSA-N
XLogP4.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 857618
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 857646
2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 648574
N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440475
N-(5-chloro-2-methoxyphenyl)-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 3207915
N-[4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 11796749
N-[4-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 7692278
2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1440326
N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide
CID 43814195
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride
CID 171668935
N-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]phenyl]propanamide
CID 7465319
N-[4-[2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide
CID 653908

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide (CID 3207929) is N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide is CCc1cc2ccccc2nc1SCC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide?
The InChIKey is XDICTLTXUTUACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-3-15-12-17-6-4-5-7-19(17)23-21(15)26-13-20(25)16-8-10-18(11-9-16)22-14(2)24/h4-12H,3,13H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide?
N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide has a molecular weight of 364.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide is sourced from PubChem (CID 3207929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).