(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide

C18H20FIN2O3S — CID 55937923

IUPAC(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
SMILESCc1cc(I)ccc1NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C18H20FIN2O3S/c1-11(2)17(18(23)21-15-9-8-13(20)10-12(15)3)22-26(24,25)16-7-5-4-6-14(16)19/h4-11,17,22H,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyYETVMVWUMAOUDL-KRWDZBQOSA-N
MW490.34 g/mol
LogP3.68
Rot. Bonds6

About (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide (PubChem CID 55937923) has the molecular formula C18H20FIN2O3S and a molecular weight of 490.34 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
PubChem CID55937923
Molecular FormulaC18H20FIN2O3S
Molecular Weight490.34 g/mol
Exact Mass490.02
IUPAC Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
SMILESCc1cc(I)ccc1NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C18H20FIN2O3S/c1-11(2)17(18(23)21-15-9-8-13(20)10-12(15)3)22-26(24,25)16-7-5-4-6-14(16)19/h4-11,17,22H,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyYETVMVWUMAOUDL-KRWDZBQOSA-N
XLogP3.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide 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-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 55349064
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 18114734
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 18128653
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2943510
[2-(2,4-dimethylanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849421
N-(3-amino-4-methoxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119418923
(2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 27649237
2-fluoro-N-[(2S)-3-methyl-1-[2-(2-nitrophenyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide
CID 55937443
[(2R)-1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 98406435
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-methylbutanamide
CID 18160979

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide (CID 55937923) is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide is Cc1cc(I)ccc1NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide?
The InChIKey is YETVMVWUMAOUDL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FIN2O3S/c1-11(2)17(18(23)21-15-9-8-13(20)10-12(15)3)22-26(24,25)16-7-5-4-6-14(16)19/h4-11,17,22H,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide?
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide has a molecular weight of 490.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 55937923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).