N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide

C17H23N3O3S — CID 113146267

IUPACN,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCN(c1cccc2cccnc12)S(C)(=O)=O
InChIInChI=1S/C17H23N3O3S/c1-4-19(5-2)16(21)11-13-20(24(3,22)23)15-10-6-8-14-9-7-12-18-17(14)15/h6-10,12H,4-5,11,13H2,1-3H3
InChIKeyFFJSXLCVKLCVTQ-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.26
Rot. Bonds7

About N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide

N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide (PubChem CID 113146267) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
PubChem CID113146267
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCN(c1cccc2cccnc12)S(C)(=O)=O
InChIInChI=1S/C17H23N3O3S/c1-4-19(5-2)16(21)11-13-20(24(3,22)23)15-10-6-8-14-9-7-12-18-17(14)15/h6-10,12H,4-5,11,13H2,1-3H3
InChIKeyFFJSXLCVKLCVTQ-UHFFFAOYSA-N
XLogP2.26
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
CID 113071747
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737
N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146243
N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146292
2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide
CID 113071751
N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide
CID 113146440
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
CID 113071764
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156685
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156678
N-dodecyl-N-quinolin-8-ylbenzenesulfonamide
CID 54559164
3-(4-bromo-N-methylsulfonylanilino)-N,N-diethylpropanamide
CID 113144433
N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156712

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide (CID 113146267) is N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide is CCN(CC)C(=O)CCN(c1cccc2cccnc12)S(C)(=O)=O.
What is the InChIKey of N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide?
The InChIKey is FFJSXLCVKLCVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-19(5-2)16(21)11-13-20(24(3,22)23)15-10-6-8-14-9-7-12-18-17(14)15/h6-10,12H,4-5,11,13H2,1-3H3.
What are the key properties of N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide?
N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide has a molecular weight of 349.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide is sourced from PubChem (CID 113146267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).