2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide

C22H28BrN3O3S — CID 24504527

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc1
InChIInChI=1S/C22H28BrN3O3S/c1-3-26(4-2)15-17-7-5-16(6-8-17)14-24-22(27)20-13-19(11-12-21(20)23)30(28,29)25-18-9-10-18/h5-8,11-13,18,25H,3-4,9-10,14-15H2,1-2H3,(H,24,27)
InChIKeyFSTKRVYFHKSGMU-UHFFFAOYSA-N
MW494.46 g/mol
LogP3.66
Rot. Bonds10

About 2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide (PubChem CID 24504527) has the molecular formula C22H28BrN3O3S and a molecular weight of 494.46 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
PubChem CID24504527
Molecular FormulaC22H28BrN3O3S
Molecular Weight494.46 g/mol
Exact Mass493.10
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc1
InChIInChI=1S/C22H28BrN3O3S/c1-3-26(4-2)15-17-7-5-16(6-8-17)14-24-22(27)20-13-19(11-12-21(20)23)30(28,29)25-18-9-10-18/h5-8,11-13,18,25H,3-4,9-10,14-15H2,1-2H3,(H,24,27)
InChIKeyFSTKRVYFHKSGMU-UHFFFAOYSA-N
XLogP3.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24637964
2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55724612
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 24642120
2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 9401625
2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 40811240
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396976
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
CID 55945412
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 86945813
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide
CID 8948233
2-bromo-5-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 26444801

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide (CID 24504527) is 2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide is CCN(CC)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cc1.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide?
The InChIKey is FSTKRVYFHKSGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN3O3S/c1-3-26(4-2)15-17-7-5-16(6-8-17)14-24-22(27)20-13-19(11-12-21(20)23)30(28,29)25-18-9-10-18/h5-8,11-13,18,25H,3-4,9-10,14-15H2,1-2H3,(H,24,27).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide has a molecular weight of 494.46 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 24504527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).