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

C18H23N3O3S — CID 113146243

IUPACN-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCC1)c1cccc2cccnc12
InChIInChI=1S/C18H23N3O3S/c1-25(23,24)21(13-11-17(22)20-15-8-2-3-9-15)16-10-4-6-14-7-5-12-19-18(14)16/h4-7,10,12,15H,2-3,8-9,11,13H2,1H3,(H,20,22)
InChIKeyDSOAXVSKFPCGGF-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.45
Rot. Bonds6

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

N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide (PubChem CID 113146243) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
PubChem CID113146243
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCC1)c1cccc2cccnc12
InChIInChI=1S/C18H23N3O3S/c1-25(23,24)21(13-11-17(22)20-15-8-2-3-9-15)16-10-4-6-14-7-5-12-19-18(14)16/h4-7,10,12,15H,2-3,8-9,11,13H2,1H3,(H,20,22)
InChIKeyDSOAXVSKFPCGGF-UHFFFAOYSA-N
XLogP2.45
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146292
N,N-diethyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146267
3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113146748
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737
N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146226
N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide
CID 113145210
2-ethyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]butanamide
CID 113071747
3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144427
N-cyclohexyl-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142895
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
CID 113071764
N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143249

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide (CID 113146243) is N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide is CS(=O)(=O)N(CCC(=O)NC1CCCC1)c1cccc2cccnc12.
What is the InChIKey of N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide?
The InChIKey is DSOAXVSKFPCGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-25(23,24)21(13-11-17(22)20-15-8-2-3-9-15)16-10-4-6-14-7-5-12-19-18(14)16/h4-7,10,12,15H,2-3,8-9,11,13H2,1H3,(H,20,22).
What are the key properties of N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide?
N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide is sourced from PubChem (CID 113146243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).