(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide

C24H22FN5O3S — CID 55963369

IUPAC(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C24H22FN5O3S/c25-21-8-4-5-9-23(21)34(32,33)29-22(14-18-6-2-1-3-7-18)24(31)27-15-19-10-12-20(13-11-19)30-17-26-16-28-30/h1-13,16-17,22,29H,14-15H2,(H,27,31)/t22-/m0/s1
InChIKeyKOGAADPFFIKHMK-QFIPXVFZSA-N
MW479.54 g/mol
LogP2.61
Rot. Bonds9

About (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide

(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide (PubChem CID 55963369) has the molecular formula C24H22FN5O3S and a molecular weight of 479.54 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
PubChem CID55963369
Molecular FormulaC24H22FN5O3S
Molecular Weight479.54 g/mol
Exact Mass479.14
IUPAC Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C24H22FN5O3S/c25-21-8-4-5-9-23(21)34(32,33)29-22(14-18-6-2-1-3-7-18)24(31)27-15-19-10-12-20(13-11-19)30-17-26-16-28-30/h1-13,16-17,22,29H,14-15H2,(H,27,31)/t22-/m0/s1
InChIKeyKOGAADPFFIKHMK-QFIPXVFZSA-N
XLogP2.61
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)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

2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 74291958
2-[(2-fluorophenyl)sulfonylamino]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 46580892
N-[(3,5-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55576648
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 24672751
2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 120827986
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide
CID 24643173
N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
CID 119997361
(2S)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55963872
2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 24638426
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 30539813
(2S)-N-(2-chlorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55937511

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide (CID 55963369) is (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide is O=C(NCc1ccc(-n2cncn2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide?
The InChIKey is KOGAADPFFIKHMK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22FN5O3S/c25-21-8-4-5-9-23(21)34(32,33)29-22(14-18-6-2-1-3-7-18)24(31)27-15-19-10-12-20(13-11-19)30-17-26-16-28-30/h1-13,16-17,22,29H,14-15H2,(H,27,31)/t22-/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide?
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide has a molecular weight of 479.54 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 55963369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).