5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide

C22H25BrN2O3S — CID 151482474

IUPAC5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(Br)cc1C(=O)NC12CC(c3ccccc3)(C1)C2
InChIInChI=1S/C22H25BrN2O3S/c1-20(2,3)29(27,28)25-18-10-9-16(23)11-17(18)19(26)24-22-12-21(13-22,14-22)15-7-5-4-6-8-15/h4-11,25H,12-14H2,1-3H3,(H,24,26)
InChIKeyPMTLVHIPAPSILT-UHFFFAOYSA-N
MW477.42 g/mol
LogP4.59
Rot. Bonds5

About 5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide

5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide (PubChem CID 151482474) has the molecular formula C22H25BrN2O3S and a molecular weight of 477.42 g/mol. Its IUPAC name is 5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide
PubChem CID151482474
Molecular FormulaC22H25BrN2O3S
Molecular Weight477.42 g/mol
Exact Mass476.08
IUPAC Name5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(Br)cc1C(=O)NC12CC(c3ccccc3)(C1)C2
InChIInChI=1S/C22H25BrN2O3S/c1-20(2,3)29(27,28)25-18-10-9-16(23)11-17(18)19(26)24-22-12-21(13-22,14-22)15-7-5-4-6-8-15/h4-11,25H,12-14H2,1-3H3,(H,24,26)
InChIKeyPMTLVHIPAPSILT-UHFFFAOYSA-N
XLogP4.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide 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

5-bromo-2-(tert-butylsulfonylamino)-N-[(2R)-4-phenyl-2-bicyclo[2.1.1]hexanyl]benzamide
CID 170190498
5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide
CID 174449375
3-(tert-butylsulfonylamino)naphthalene-2-carboxylic acid
CID 63688592
2-(benzylsulfonylamino)-5-bromobenzoic acid
CID 45297744
1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 155351890
5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzoic acid
CID 24762558
5-bromo-2-(dimethylsulfamoylamino)benzoic acid
CID 55031300
5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
CID 68865312
N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide
CID 11289508
5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
CID 62072595
2-anilino-5-bromo-N-phenylbenzamide
CID 23094060
5-bromo-2-(ethylsulfamoylamino)benzoic acid
CID 114805892

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide?
The IUPAC name of 5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide (CID 151482474) is 5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide.
What is the SMILES notation for 5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide?
The canonical SMILES for 5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide is CC(C)(C)S(=O)(=O)Nc1ccc(Br)cc1C(=O)NC12CC(c3ccccc3)(C1)C2.
What is the InChIKey of 5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide?
The InChIKey is PMTLVHIPAPSILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O3S/c1-20(2,3)29(27,28)25-18-10-9-16(23)11-17(18)19(26)24-22-12-21(13-22,14-22)15-7-5-4-6-8-15/h4-11,25H,12-14H2,1-3H3,(H,24,26).
What are the key properties of 5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide?
5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide has a molecular weight of 477.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(tert-butylsulfonylamino)-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)benzamide is sourced from PubChem (CID 151482474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).