2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide

C24H23F4N3O2S — CID 134300365

IUPAC2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide
SMILESCC(C)N(CC(=O)NCc1cccc(-c2ccc(C(F)(F)F)cn2)c1)S(=O)c1cccc(F)c1
InChIInChI=1S/C24H23F4N3O2S/c1-16(2)31(34(33)21-8-4-7-20(25)12-21)15-23(32)30-13-17-5-3-6-18(11-17)22-10-9-19(14-29-22)24(26,27)28/h3-12,14,16H,13,15H2,1-2H3,(H,30,32)
InChIKeyMAGFZNRBYINTHB-UHFFFAOYSA-N
MW493.53 g/mol
LogP4.96
Rot. Bonds8

About 2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide

2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide (PubChem CID 134300365) has the molecular formula C24H23F4N3O2S and a molecular weight of 493.53 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide
PubChem CID134300365
Molecular FormulaC24H23F4N3O2S
Molecular Weight493.53 g/mol
Exact Mass493.14
IUPAC Name2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide
SMILESCC(C)N(CC(=O)NCc1cccc(-c2ccc(C(F)(F)F)cn2)c1)S(=O)c1cccc(F)c1
InChIInChI=1S/C24H23F4N3O2S/c1-16(2)31(34(33)21-8-4-7-20(25)12-21)15-23(32)30-13-17-5-3-6-18(11-17)22-10-9-19(14-29-22)24(26,27)28/h3-12,14,16H,13,15H2,1-2H3,(H,30,32)
InChIKeyMAGFZNRBYINTHB-UHFFFAOYSA-N
XLogP4.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide 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

2-[(4-fluorophenyl)sulfinyl-methylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide
CID 123823346
2-[(4-fluorophenyl)sulfanyl-methylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide
CID 134300350
2-[(4-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]acetamide
CID 123407549
N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide
CID 145496447
2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide
CID 122696056
N-[(3-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide
CID 123902147
2-bromo-N-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 118222623
2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]acetamide
CID 152500555
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
CID 58432818
2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 66718908
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide?
The IUPAC name of 2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide (CID 134300365) is 2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide is CC(C)N(CC(=O)NCc1cccc(-c2ccc(C(F)(F)F)cn2)c1)S(=O)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide?
The InChIKey is MAGFZNRBYINTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O2S/c1-16(2)31(34(33)21-8-4-7-20(25)12-21)15-23(32)30-13-17-5-3-6-18(11-17)22-10-9-19(14-29-22)24(26,27)28/h3-12,14,16H,13,15H2,1-2H3,(H,30,32).
What are the key properties of 2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide?
2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide has a molecular weight of 493.53 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)sulfinyl-propan-2-ylamino]-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]acetamide is sourced from PubChem (CID 134300365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).