N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide

C17H18F6N4O4S — CID 536471

IUPACN-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide
SMILESCCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H18F6N4O4S/c1-3-4-14(28)25-15(16(18,19)20,17(21,22)23)24-11-5-7-12(8-6-11)32(29,30)27-13-9-10(2)31-26-13/h5-9,24H,3-4H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyUGOUFIBHZSPYIW-UHFFFAOYSA-N
MW488.41 g/mol
LogP3.93
Rot. Bonds8

About N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide

N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide (PubChem CID 536471) has the molecular formula C17H18F6N4O4S and a molecular weight of 488.41 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide
PubChem CID536471
Molecular FormulaC17H18F6N4O4S
Molecular Weight488.41 g/mol
Exact Mass488.10
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide
SMILESCCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H18F6N4O4S/c1-3-4-14(28)25-15(16(18,19)20,17(21,22)23)24-11-5-7-12(8-6-11)32(29,30)27-13-9-10(2)31-26-13/h5-9,24H,3-4H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyUGOUFIBHZSPYIW-UHFFFAOYSA-N
XLogP3.93
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.41
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-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)-acetylsulfamethoxazole
CID 65280
N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)cyclohexanecarboxamide
CID 1181036
(2E)-N-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamothioyl)-3-phenylprop-2-enamide
CID 1949759
Acetylsulfisomezole
CID 87725
N-dimethyl-sulfamethoxazole
CID 162661006
4-N-methyl-sulfamethoxazole
CID 43154654
N-[4-(5-Methyl-isoxazol-3-ylsulfamoyl)-phenyl]-3-phenyl-propionamide
CID 644808
4-[3-(3-Chloro-phenyl)-ureido]-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
CID 647376
4-[(anilinocarbonyl)amino]-N-(5-methylisoxazol-3-yl)benzenesulfonamide
CID 1011844
4-{[(cyclohexylamino)carbonyl]amino}-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
CID 1093288
N-(5-Methylisoxazol-3-yl)-4-(3-phenylthioureido)benzenesulfonamide
CID 1367020
N-(5-Methyl-isoxazol-3-yl)-4-[3-(3-p-tolyl-acryloyl)-thioureido]-benzenesulfonamide
CID 1985859

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide (CID 536471) is N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide is CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide?
The InChIKey is UGOUFIBHZSPYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F6N4O4S/c1-3-4-14(28)25-15(16(18,19)20,17(21,22)23)24-11-5-7-12(8-6-11)32(29,30)27-13-9-10(2)31-26-13/h5-9,24H,3-4H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide?
N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide has a molecular weight of 488.41 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]butanamide is sourced from PubChem (CID 536471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).