3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide

C23H21N3O3S2 — CID 20950521

IUPAC3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C23H21N3O3S2/c27-23(25-16-19-11-6-14-30-19)20(15-17-7-2-1-3-8-17)26-31(28,29)21-12-4-9-18-10-5-13-24-22(18)21/h1-14,20,26H,15-16H2,(H,25,27)
InChIKeyJIZAZVKPOWRGIP-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.50
Rot. Bonds8

About 3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide

3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 20950521) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID20950521
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC Name3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C23H21N3O3S2/c27-23(25-16-19-11-6-14-30-19)20(15-17-7-2-1-3-8-17)26-31(28,29)21-12-4-9-18-10-5-13-24-22(18)21/h1-14,20,26H,15-16H2,(H,25,27)
InChIKeyJIZAZVKPOWRGIP-UHFFFAOYSA-N
XLogP3.50
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(quinoxalin-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25187694
(S)-N-(2,5-dimethylphenyl)-1-(quinolin-8-ylsulfonyl)pyrrolidine-2-carboxamide
CID 49842897
3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiophen-3-yl)quinoline-4-carboxamide
CID 53318420
3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 53323748
N-[2-(azepan-1-yl)ethyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5309973
(S)-2-(Quinoline-8-sulfonylamino)-3-({5-[2-(1,4,5,6-tetrahydro-pyrimidin-2-ylcarbamoyl)-ethyl]-thiophene-2-carbonyl}-amino)-propionic acid
CID 15859420
N-(thiophen-2-ylmethyl)-8-[[4-(thiophen-2-ylmethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-4-carboxamide
CID 126599622
N-(2-methylcyclohexyl)-2-[methyl(8-quinolylsulfonyl)amino]acetamide
CID 6622896
Thiophene-2-carboxylic acid (cyclohexylcarbamoyl-quinolin-6-yl-methyl)-thiophen-2-ylmethyl-amide
CID 3219096
N-cyclopentyl-1-(quinolin-8-ylsulfonyl)piperidine-4-carboxamide
CID 3240513
1-quinolin-8-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 3243615
N-[3-(dimethylsulfamoyl)phenyl]-2-quinolin-8-ylsulfanylacetamide
CID 3475954

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide (CID 20950521) is 3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide is O=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is JIZAZVKPOWRGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c27-23(25-16-19-11-6-14-30-19)20(15-17-7-2-1-3-8-17)26-31(28,29)21-12-4-9-18-10-5-13-24-22(18)21/h1-14,20,26H,15-16H2,(H,25,27).
What are the key properties of 3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide?
3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 451.57 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(quinolin-8-ylsulfonylamino)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 20950521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).