N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide

C26H28FN3O4S — CID 146147261

IUPACN-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2)ccc1F
InChIInChI=1S/C26H28FN3O4S/c1-26(2,3)30-35(33,34)23-17-19(14-15-21(23)27)24(31)29-22(16-18-10-6-4-7-11-18)25(32)28-20-12-8-5-9-13-20/h4-15,17,22,30H,16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyXGOIXZGRUFYKBV-UHFFFAOYSA-N
MW497.59 g/mol
LogP3.88
Rot. Bonds8

About N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide

N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide (PubChem CID 146147261) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide
PubChem CID146147261
Molecular FormulaC26H28FN3O4S
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC NameN-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2)ccc1F
InChIInChI=1S/C26H28FN3O4S/c1-26(2,3)30-35(33,34)23-17-19(14-15-21(23)27)24(31)29-22(16-18-10-6-4-7-11-18)25(32)28-20-12-8-5-9-13-20/h4-15,17,22,30H,16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyXGOIXZGRUFYKBV-UHFFFAOYSA-N
XLogP3.88
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide 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-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 142474792
N-[1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 146544712
N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
CID 142474804
3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 25035469
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522
N-[1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]benzamide
CID 146503438
N-[1-[4-(tert-butylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 146503462
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]pyridazine-3-carboxamide
CID 146503498
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55971747
tert-butyl N-[5-[(2-benzamido-3-phenylpropanoyl)amino]-2-fluorophenyl]carbamate
CID 55967903
3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide
CID 47165468
3-[(2-benzamido-3-phenylpropanoyl)amino]-N-hydroxybenzamide
CID 178016044

Frequently Asked Questions

What is the IUPAC name of N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide?
The IUPAC name of N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide (CID 146147261) is N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide?
The canonical SMILES for N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide is CC(C)(C)NS(=O)(=O)c1cc(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2)ccc1F.
What is the InChIKey of N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide?
The InChIKey is XGOIXZGRUFYKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4S/c1-26(2,3)30-35(33,34)23-17-19(14-15-21(23)27)24(31)29-22(16-18-10-6-4-7-11-18)25(32)28-20-12-8-5-9-13-20/h4-15,17,22,30H,16H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide?
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide has a molecular weight of 497.59 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide is sourced from PubChem (CID 146147261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).