3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide

C19H23BrN2O4S — CID 55597909

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
SMILESCCOCc1ccc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-2-26-14-16-8-6-15(7-9-16)13-21-19(23)10-11-22-27(24,25)18-5-3-4-17(20)12-18/h3-9,12,22H,2,10-11,13-14H2,1H3,(H,21,23)
InChIKeyUTIHEJAQUSAEHC-UHFFFAOYSA-N
MW455.37 g/mol
LogP2.97
Rot. Bonds10

About 3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide

3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide (PubChem CID 55597909) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
PubChem CID55597909
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
SMILESCCOCc1ccc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-2-26-14-16-8-6-15(7-9-16)13-21-19(23)10-11-22-27(24,25)18-5-3-4-17(20)12-18/h3-9,12,22H,2,10-11,13-14H2,1H3,(H,21,23)
InChIKeyUTIHEJAQUSAEHC-UHFFFAOYSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide 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-(ethoxymethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 30874185
3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
CID 26692180
3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408273
3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
CID 55846241
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505773

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide (CID 55597909) is 3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide is CCOCc1ccc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is UTIHEJAQUSAEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-2-26-14-16-8-6-15(7-9-16)13-21-19(23)10-11-22-27(24,25)18-5-3-4-17(20)12-18/h3-9,12,22H,2,10-11,13-14H2,1H3,(H,21,23).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide has a molecular weight of 455.37 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55597909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).