2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide

C23H22BrNO4S — CID 19219436

IUPAC2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(N(C(=O)C(C)Oc2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22BrNO4S/c1-16-7-11-20(12-8-16)25(30(27,28)22-13-9-17(2)10-14-22)23(26)18(3)29-21-6-4-5-19(24)15-21/h4-15,18H,1-3H3
InChIKeyGYAFCLGVHKZVNA-UHFFFAOYSA-N
MW488.40 g/mol
LogP5.26
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide

2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide (PubChem CID 19219436) has the molecular formula C23H22BrNO4S and a molecular weight of 488.40 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
PubChem CID19219436
Molecular FormulaC23H22BrNO4S
Molecular Weight488.40 g/mol
Exact Mass487.05
IUPAC Name2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(N(C(=O)C(C)Oc2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22BrNO4S/c1-16-7-11-20(12-8-16)25(30(27,28)22-13-9-17(2)10-14-22)23(26)18(3)29-21-6-4-5-19(24)15-21/h4-15,18H,1-3H3
InChIKeyGYAFCLGVHKZVNA-UHFFFAOYSA-N
XLogP5.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.40
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylpropanamide
CID 19219434
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551
2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one
CID 60625693
tert-butyl N-(3-bromophenyl)sulfonyl-N-(4-methylphenyl)carbamate
CID 67189391
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
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
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpropanamide
CID 19219066
N-(1-aminopropan-2-yl)-2-(3-bromophenoxy)-N-methylpropanamide;hydrochloride
CID 119584143
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 43894148
2-(3-methylphenoxy)-N,N-di(propan-2-yl)propanamide
CID 5211890

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide (CID 19219436) is 2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(N(C(=O)C(C)Oc2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is GYAFCLGVHKZVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO4S/c1-16-7-11-20(12-8-16)25(30(27,28)22-13-9-17(2)10-14-22)23(26)18(3)29-21-6-4-5-19(24)15-21/h4-15,18H,1-3H3.
What are the key properties of 2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide?
2-(3-bromophenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 488.40 g/mol, XLogP of 5.26, 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)-N-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 19219436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).