N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide

C22H25N3O3S — CID 69277574

IUPACN-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide
SMILESCCCCS(=O)(=O)NCC(NC(=O)c1ccc2ncccc2c1)c1ccccc1
InChIInChI=1S/C22H25N3O3S/c1-2-3-14-29(27,28)24-16-21(17-8-5-4-6-9-17)25-22(26)19-11-12-20-18(15-19)10-7-13-23-20/h4-13,15,21,24H,2-3,14,16H2,1H3,(H,25,26)
InChIKeyMHAWQNVJCJXDOE-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.43
Rot. Bonds9

About N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide

N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide (PubChem CID 69277574) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide
PubChem CID69277574
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide
SMILESCCCCS(=O)(=O)NCC(NC(=O)c1ccc2ncccc2c1)c1ccccc1
InChIInChI=1S/C22H25N3O3S/c1-2-3-14-29(27,28)24-16-21(17-8-5-4-6-9-17)25-22(26)19-11-12-20-18(15-19)10-7-13-23-20/h4-13,15,21,24H,2-3,14,16H2,1H3,(H,25,26)
InChIKeyMHAWQNVJCJXDOE-UHFFFAOYSA-N
XLogP3.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide
CID 69276128
N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide
CID 142776250
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
(3R)-3-(quinoline-6-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 97337209
N-octylquinoline-6-carboxamide
CID 68863650
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
CID 107821934
N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
CID 76975230

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide?
The IUPAC name of N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide (CID 69277574) is N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide is CCCCS(=O)(=O)NCC(NC(=O)c1ccc2ncccc2c1)c1ccccc1.
What is the InChIKey of N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide?
The InChIKey is MHAWQNVJCJXDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-2-3-14-29(27,28)24-16-21(17-8-5-4-6-9-17)25-22(26)19-11-12-20-18(15-19)10-7-13-23-20/h4-13,15,21,24H,2-3,14,16H2,1H3,(H,25,26).
What are the key properties of N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide?
N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide is sourced from PubChem (CID 69277574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).