2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide

C15H18N2O3S — CID 71938888

IUPAC2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide
SMILESCC(C(=O)NCCc1ccc2ccccc2n1)S(C)(=O)=O
InChIInChI=1S/C15H18N2O3S/c1-11(21(2,19)20)15(18)16-10-9-13-8-7-12-5-3-4-6-14(12)17-13/h3-8,11H,9-10H2,1-2H3,(H,16,18)
InChIKeyRLSXGQHQVRSRES-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.33
Rot. Bonds5

About 2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide

2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide (PubChem CID 71938888) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide
PubChem CID71938888
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide
SMILESCC(C(=O)NCCc1ccc2ccccc2n1)S(C)(=O)=O
InChIInChI=1S/C15H18N2O3S/c1-11(21(2,19)20)15(18)16-10-9-13-8-7-12-5-3-4-6-14(12)17-13/h3-8,11H,9-10H2,1-2H3,(H,16,18)
InChIKeyRLSXGQHQVRSRES-UHFFFAOYSA-N
XLogP1.33
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-N-(2-quinolin-2-ylethyl)acetamide
CID 71940496
N-(1H-benzimidazol-2-ylmethyl)-2-methylsulfonylpropanamide
CID 112684952
N,N-dimethyl-3-quinolin-2-ylpropanamide
CID 110464890
2-(methylsulfonylmethyl)quinoline
CID 14901365
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 94477575
2-methyl-N-(2-quinolin-2-ylethyl)propan-2-amine
CID 62549000
2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide
CID 166219392
1-methoxy-4-quinolin-2-ylbutan-2-one
CID 79417247
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
CID 71940493
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 46811541
N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide
CID 172890631

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide?
The IUPAC name of 2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide (CID 71938888) is 2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide?
The canonical SMILES for 2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide is CC(C(=O)NCCc1ccc2ccccc2n1)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide?
The InChIKey is RLSXGQHQVRSRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(21(2,19)20)15(18)16-10-9-13-8-7-12-5-3-4-6-14(12)17-13/h3-8,11H,9-10H2,1-2H3,(H,16,18).
What are the key properties of 2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide?
2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide has a molecular weight of 306.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide is sourced from PubChem (CID 71938888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).