2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide

C22H20BrNO4S — CID 19219434

IUPAC2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)C(C)Oc2cccc(Br)c2)c2ccccc2)cc1
InChIInChI=1S/C22H20BrNO4S/c1-16-11-13-21(14-12-16)29(26,27)24(19-8-4-3-5-9-19)22(25)17(2)28-20-10-6-7-18(23)15-20/h3-15,17H,1-2H3
InChIKeyMFAXHTFGUHOPKV-UHFFFAOYSA-N
MW474.38 g/mol
LogP4.95
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide

2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide (PubChem CID 19219434) has the molecular formula C22H20BrNO4S and a molecular weight of 474.38 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide
PubChem CID19219434
Molecular FormulaC22H20BrNO4S
Molecular Weight474.38 g/mol
Exact Mass473.03
IUPAC Name2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N(C(=O)C(C)Oc2cccc(Br)c2)c2ccccc2)cc1
InChIInChI=1S/C22H20BrNO4S/c1-16-11-13-21(14-12-16)29(26,27)24(19-8-4-3-5-9-19)22(25)17(2)28-20-10-6-7-18(23)15-20/h3-15,17H,1-2H3
InChIKeyMFAXHTFGUHOPKV-UHFFFAOYSA-N
XLogP4.95
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide 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

2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
CID 19219436
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551
2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one
CID 60625693
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 43894075
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide
CID 2457467
1-[3-[4-[carbamoyl-(4-methylphenyl)sulfonylamino]phenoxy]phenyl]-1-(4-methylphenyl)sulfonylurea
CID 18328595
tert-butyl N-(3-bromophenyl)sulfonyl-N-(4-methylphenyl)carbamate
CID 67189391
3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide
CID 19210572
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide
CID 19219066
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
[[(4-methylphenyl)sulfonyl-phenylcarbamoyl]amino] 3-methylbenzenesulfonate
CID 91111235

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide (CID 19219434) is 2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide is Cc1ccc(S(=O)(=O)N(C(=O)C(C)Oc2cccc(Br)c2)c2ccccc2)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide?
The InChIKey is MFAXHTFGUHOPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO4S/c1-16-11-13-21(14-12-16)29(26,27)24(19-8-4-3-5-9-19)22(25)17(2)28-20-10-6-7-18(23)15-20/h3-15,17H,1-2H3.
What are the key properties of 2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide?
2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide has a molecular weight of 474.38 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide is sourced from PubChem (CID 19219434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).