3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C19H24BrN3O3S — CID 55482671

IUPAC3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1Br
InChIInChI=1S/C19H24BrN3O3S/c1-23(14-16-4-2-3-5-18(16)20)13-11-19(24)22-12-10-15-6-8-17(9-7-15)27(21,25)26/h2-9H,10-14H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyFEYNJQJOKCELBX-UHFFFAOYSA-N
MW454.39 g/mol
LogP2.28
Rot. Bonds9

About 3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 55482671) has the molecular formula C19H24BrN3O3S and a molecular weight of 454.39 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID55482671
Molecular FormulaC19H24BrN3O3S
Molecular Weight454.39 g/mol
Exact Mass453.07
IUPAC Name3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1Br
InChIInChI=1S/C19H24BrN3O3S/c1-23(14-16-4-2-3-5-18(16)20)13-11-19(24)22-12-10-15-6-8-17(9-7-15)27(21,25)26/h2-9H,10-14H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyFEYNJQJOKCELBX-UHFFFAOYSA-N
XLogP2.28
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698664
3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113122472
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide
CID 167992796
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46455661
3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113115963
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110685191
4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538363
(E)-3-(2-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 9165843
N'-(2-cyanoethyl)-N'-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanediamide
CID 56516049

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 55482671) is 3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is FEYNJQJOKCELBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3S/c1-23(14-16-4-2-3-5-18(16)20)13-11-19(24)22-12-10-15-6-8-17(9-7-15)27(21,25)26/h2-9H,10-14H2,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of 3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 454.39 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 55482671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).