3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide

C20H21N3O3S — CID 113141855

IUPAC3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide
SMILESCc1cccc(N(CCC(=O)Nc2cccc3cccnc23)S(C)(=O)=O)c1
InChIInChI=1S/C20H21N3O3S/c1-15-6-3-9-17(14-15)23(27(2,25)26)13-11-19(24)22-18-10-4-7-16-8-5-12-21-20(16)18/h3-10,12,14H,11,13H2,1-2H3,(H,22,24)
InChIKeyIMEFIUZXXRDZSY-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.34
Rot. Bonds6

About 3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide

3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide (PubChem CID 113141855) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide
PubChem CID113141855
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide
SMILESCc1cccc(N(CCC(=O)Nc2cccc3cccnc23)S(C)(=O)=O)c1
InChIInChI=1S/C20H21N3O3S/c1-15-6-3-9-17(14-15)23(27(2,25)26)13-11-19(24)22-18-10-4-7-16-8-5-12-21-20(16)18/h3-10,12,14H,11,13H2,1-2H3,(H,22,24)
InChIKeyIMEFIUZXXRDZSY-UHFFFAOYSA-N
XLogP3.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113153811
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146292
3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113141766
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113154095
3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
CID 113131055
3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide
CID 113132499
N-(2-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
CID 113141830
3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
N-(1,3-benzodioxol-5-yl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
CID 113141853
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide (CID 113141855) is 3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide is Cc1cccc(N(CCC(=O)Nc2cccc3cccnc23)S(C)(=O)=O)c1.
What is the InChIKey of 3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide?
The InChIKey is IMEFIUZXXRDZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15-6-3-9-17(14-15)23(27(2,25)26)13-11-19(24)22-18-10-4-7-16-8-5-12-21-20(16)18/h3-10,12,14H,11,13H2,1-2H3,(H,22,24).
What are the key properties of 3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide?
3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide has a molecular weight of 383.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 113141855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).