4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide

C20H19F2N3O3S2 — CID 60551837

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide
SMILESCN(CCCC(=O)Nc1nc(-c2ccccc2F)cs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O3S2/c1-25(30(27,28)15-10-8-14(21)9-11-15)12-4-7-19(26)24-20-23-18(13-29-20)16-5-2-3-6-17(16)22/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,23,24,26)
InChIKeyPKZGPZRVVZLUDA-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.13
Rot. Bonds8

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 60551837) has the molecular formula C20H19F2N3O3S2 and a molecular weight of 451.52 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID60551837
Molecular FormulaC20H19F2N3O3S2
Molecular Weight451.52 g/mol
Exact Mass451.08
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide
SMILESCN(CCCC(=O)Nc1nc(-c2ccccc2F)cs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O3S2/c1-25(30(27,28)15-10-8-14(21)9-11-15)12-4-7-19(26)24-20-23-18(13-29-20)16-5-2-3-6-17(16)22/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,23,24,26)
InChIKeyPKZGPZRVVZLUDA-UHFFFAOYSA-N
XLogP4.13
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide 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-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26066021
ethyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]-1,3-thiazole-4-carboxylate
CID 55358566
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2093950
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991484
4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 5129133
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24593558
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16910539
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 31288135
N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 87043269
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide (CID 60551837) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide is CN(CCCC(=O)Nc1nc(-c2ccccc2F)cs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is PKZGPZRVVZLUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3S2/c1-25(30(27,28)15-10-8-14(21)9-11-15)12-4-7-19(26)24-20-23-18(13-29-20)16-5-2-3-6-17(16)22/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,23,24,26).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 451.52 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 60551837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).