N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide

C17H23N3O3S — CID 113063208

IUPACN-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
SMILESCCCCS(=O)(=O)NCCN(C(C)=O)c1cccc2cccnc12
InChIInChI=1S/C17H23N3O3S/c1-3-4-13-24(22,23)19-11-12-20(14(2)21)16-9-5-7-15-8-6-10-18-17(15)16/h5-10,19H,3-4,11-13H2,1-2H3
InChIKeyBKWYJWJXWORPED-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.31
Rot. Bonds8

About N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide

N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide (PubChem CID 113063208) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
PubChem CID113063208
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
SMILESCCCCS(=O)(=O)NCCN(C(C)=O)c1cccc2cccnc12
InChIInChI=1S/C17H23N3O3S/c1-3-4-13-24(22,23)19-11-12-20(14(2)21)16-9-5-7-15-8-6-10-18-17(15)16/h5-10,19H,3-4,11-13H2,1-2H3
InChIKeyBKWYJWJXWORPED-UHFFFAOYSA-N
XLogP2.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide
CID 113058249
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766
methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
CID 113063198
2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
CID 113178698
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide
CID 113063169
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
N-butylsulfonylquinoline-8-carboxamide
CID 102587475
3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 113133160
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
CID 113063161
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]oxane-4-carboxamide
CID 113063202
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737
2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide
CID 113178742

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide?
The IUPAC name of N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide (CID 113063208) is N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide?
The canonical SMILES for N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide is CCCCS(=O)(=O)NCCN(C(C)=O)c1cccc2cccnc12.
What is the InChIKey of N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide?
The InChIKey is BKWYJWJXWORPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-4-13-24(22,23)19-11-12-20(14(2)21)16-9-5-7-15-8-6-10-18-17(15)16/h5-10,19H,3-4,11-13H2,1-2H3.
What are the key properties of N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide?
N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide has a molecular weight of 349.46 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 113063208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).