3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide

C19H24BrN3O3S — CID 55408273

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
SMILESCN(C)Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C19H24BrN3O3S/c1-23(2)14-16-7-4-3-6-15(16)13-21-19(24)10-11-22-27(25,26)18-9-5-8-17(20)12-18/h3-9,12,22H,10-11,13-14H2,1-2H3,(H,21,24)
InChIKeyCEKBQSQXLNSPOH-UHFFFAOYSA-N
MW454.39 g/mol
LogP2.50
Rot. Bonds9

About 3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide

3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide (PubChem CID 55408273) has the molecular formula C19H24BrN3O3S and a molecular weight of 454.39 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
PubChem CID55408273
Molecular FormulaC19H24BrN3O3S
Molecular Weight454.39 g/mol
Exact Mass453.07
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
SMILESCN(C)Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C19H24BrN3O3S/c1-23(2)14-16-7-4-3-6-15(16)13-21-19(24)10-11-22-27(25,26)18-9-5-8-17(20)12-18/h3-9,12,22H,10-11,13-14H2,1-2H3,(H,21,24)
InChIKeyCEKBQSQXLNSPOH-UHFFFAOYSA-N
XLogP2.50
TPSA78.51 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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
CID 26692180
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CID 55597909
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 34235016
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide
CID 55585732
3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
CID 55846241
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
CID 55408582
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24550323
3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide (CID 55408273) is 3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide is CN(C)Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide?
The InChIKey is CEKBQSQXLNSPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3S/c1-23(2)14-16-7-4-3-6-15(16)13-21-19(24)10-11-22-27(25,26)18-9-5-8-17(20)12-18/h3-9,12,22H,10-11,13-14H2,1-2H3,(H,21,24).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide has a molecular weight of 454.39 g/mol, XLogP of 2.50, 9 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-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 55408273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).