N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide

C19H18FN3O3S — CID 113146292

IUPACN-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccccc1F)c1cccc2cccnc12
InChIInChI=1S/C19H18FN3O3S/c1-27(25,26)23(17-10-4-6-14-7-5-12-21-19(14)17)13-11-18(24)22-16-9-3-2-8-15(16)20/h2-10,12H,11,13H2,1H3,(H,22,24)
InChIKeyQECBSKHAWXBBOY-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.17
Rot. Bonds6

About N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide

N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide (PubChem CID 113146292) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
PubChem CID113146292
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccccc1F)c1cccc2cccnc12
InChIInChI=1S/C19H18FN3O3S/c1-27(25,26)23(17-10-4-6-14-7-5-12-21-19(14)17)13-11-18(24)22-16-9-3-2-8-15(16)20/h2-10,12H,11,13H2,1H3,(H,22,24)
InChIKeyQECBSKHAWXBBOY-UHFFFAOYSA-N
XLogP3.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146243
3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide
CID 113141855
N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146267
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide
CID 113142084
N-(2-fluorophenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 17312968
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737
N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156712
2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide
CID 113071751
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
CID 113071764
2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
CID 113071747
N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147393
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113154095

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide (CID 113146292) is N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccccc1F)c1cccc2cccnc12.
What is the InChIKey of N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide?
The InChIKey is QECBSKHAWXBBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-27(25,26)23(17-10-4-6-14-7-5-12-21-19(14)17)13-11-18(24)22-16-9-3-2-8-15(16)20/h2-10,12H,11,13H2,1H3,(H,22,24).
What are the key properties of N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide?
N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide has a molecular weight of 387.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide is sourced from PubChem (CID 113146292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).