N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

C27H27N3O4S — CID 20950537

IUPACN-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCCN(C(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)c1ccc(OC)cc1
InChIInChI=1S/C27H27N3O4S/c1-3-30(22-14-16-23(34-2)17-15-22)27(31)24(19-20-9-5-4-6-10-20)29-35(32,33)25-13-7-11-21-12-8-18-28-26(21)25/h4-18,24,29H,3,19H2,1-2H3
InChIKeyLEHWAOMVYSVVFM-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.19
Rot. Bonds9

About N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide

N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (PubChem CID 20950537) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
PubChem CID20950537
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC NameN-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCCN(C(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)c1ccc(OC)cc1
InChIInChI=1S/C27H27N3O4S/c1-3-30(22-14-16-23(34-2)17-15-22)27(31)24(19-20-9-5-4-6-10-20)29-35(32,33)25-13-7-11-21-12-8-18-28-26(21)25/h4-18,24,29H,3,19H2,1-2H3
InChIKeyLEHWAOMVYSVVFM-UHFFFAOYSA-N
XLogP4.19
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(3-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950529
N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide
CID 122510050
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 20857031
(2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 144836010
2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 118037900
N-(4-ethylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide;N-(4-methylphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 159796382
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid
CID 24861288
N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide
CID 122510074
3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42662381
N-[(2,5-dimethylphenyl)methyl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950534
(2S)-2-[(5-bromo-2-methylphenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 118037597

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The IUPAC name of N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide (CID 20950537) is N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide.
What is the SMILES notation for N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The canonical SMILES for N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is CCN(C(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The InChIKey is LEHWAOMVYSVVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-3-30(22-14-16-23(34-2)17-15-22)27(31)24(19-20-9-5-4-6-10-20)29-35(32,33)25-13-7-11-21-12-8-18-28-26(21)25/h4-18,24,29H,3,19H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide?
N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide has a molecular weight of 489.60 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide is sourced from PubChem (CID 20950537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).