(2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide

C24H20F3N3O4S — CID 122685619

IUPAC(2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C24H20F3N3O4S/c1-15(30-35(32,33)22-12-18-6-2-3-8-21(18)34-22)23(31)29-13-16-5-4-7-17(11-16)20-10-9-19(14-28-20)24(25,26)27/h2-12,14-15,30H,13H2,1H3,(H,29,31)/t15-/m0/s1
InChIKeyOCQUJPMFJQVJDY-HNNXBMFYSA-N
MW503.50 g/mol
LogP4.50
Rot. Bonds7

About (2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide

(2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide (PubChem CID 122685619) has the molecular formula C24H20F3N3O4S and a molecular weight of 503.50 g/mol. Its IUPAC name is (2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide
PubChem CID122685619
Molecular FormulaC24H20F3N3O4S
Molecular Weight503.50 g/mol
Exact Mass503.11
IUPAC Name(2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C24H20F3N3O4S/c1-15(30-35(32,33)22-12-18-6-2-3-8-21(18)34-22)23(31)29-13-16-5-4-7-17(11-16)20-10-9-19(14-28-20)24(25,26)27/h2-12,14-15,30H,13H2,1H3,(H,29,31)/t15-/m0/s1
InChIKeyOCQUJPMFJQVJDY-HNNXBMFYSA-N
XLogP4.50
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-4-Methyl-1-oxo-1-{[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-2-pentanyl]-1-benzofuran-2-carboxamide
CID 5287468
(2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(2S)-3-oxo-4-(pyridine-2-sulfonamido)butan-2-yl]pentanamide
CID 10673009
N-[(2S)-4-methyl-1-oxo-1-[[(4R)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide
CID 10792226
N-((S)-4-fluoro-4-methyl-1-oxo-1-((S)-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylamino)pentan-2-yl)benzofuran-2-carboxamide
CID 44571340
Benzofuran-2-carboxylic acid {3-methyl-1-[2-oxo-3-(pyridine-2-sulfonylamino)-propylcarbamoyl]-butyl}-amide
CID 11799129
3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzenesulfonamide
CID 71616989
N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide
CID 139341726
6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide
CID 139341727
8-(3-Methylindol-1-yl)sulfonyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine
CID 68109265
8-Indol-1-ylsulfonyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine
CID 68109317
US10626112, Example 224
CID 122685628
US10626112, Example 223
CID 122685825

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide (CID 122685619) is (2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide is C[C@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of (2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide?
The InChIKey is OCQUJPMFJQVJDY-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H20F3N3O4S/c1-15(30-35(32,33)22-12-18-6-2-3-8-21(18)34-22)23(31)29-13-16-5-4-7-17(11-16)20-10-9-19(14-28-20)24(25,26)27/h2-12,14-15,30H,13H2,1H3,(H,29,31)/t15-/m0/s1.
What are the key properties of (2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide?
(2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide has a molecular weight of 503.50 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide is sourced from PubChem (CID 122685619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).