N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide

C19H18N2O2S — CID 2241315

IUPACN-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
SMILESCOc1cccc(NC(=O)CCSc2ccc3ccccc3n2)c1
InChIInChI=1S/C19H18N2O2S/c1-23-16-7-4-6-15(13-16)20-18(22)11-12-24-19-10-9-14-5-2-3-8-17(14)21-19/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyYBRVASRWDNJOIV-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.36
Rot. Bonds6

About N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide

N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide (PubChem CID 2241315) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
PubChem CID2241315
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
SMILESCOc1cccc(NC(=O)CCSc2ccc3ccccc3n2)c1
InChIInChI=1S/C19H18N2O2S/c1-23-16-7-4-6-15(13-16)20-18(22)11-12-24-19-10-9-14-5-2-3-8-17(14)21-19/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyYBRVASRWDNJOIV-UHFFFAOYSA-N
XLogP4.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765764
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide
CID 4679662
N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755220
N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765768
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
N-[(3-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
CID 1043414
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide
CID 863088
N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846841
3-quinolin-2-ylsulfanylpropanoic acid
CID 661670
N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 33101027
3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 17337681

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide (CID 2241315) is N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide is COc1cccc(NC(=O)CCSc2ccc3ccccc3n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide?
The InChIKey is YBRVASRWDNJOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-16-7-4-6-15(13-16)20-18(22)11-12-24-19-10-9-14-5-2-3-8-17(14)21-19/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide?
N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide has a molecular weight of 338.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 2241315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).