2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide

C19H21BrN2O4S — CID 17484041

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C19H21BrN2O4S/c1-26-18-5-3-2-4-13(18)10-11-21-19(23)16-12-15(8-9-17(16)20)27(24,25)22-14-6-7-14/h2-5,8-9,12,14,22H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyCQUWJSHYTDDEMX-UHFFFAOYSA-N
MW453.36 g/mol
LogP2.87
Rot. Bonds8

About 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 17484041) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID17484041
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C19H21BrN2O4S/c1-26-18-5-3-2-4-13(18)10-11-21-19(23)16-12-15(8-9-17(16)20)27(24,25)22-14-6-7-14/h2-5,8-9,12,14,22H,6-7,10-11H2,1H3,(H,21,23)
InChIKeyCQUWJSHYTDDEMX-UHFFFAOYSA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396976
2-bromo-5-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 26444801
2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26716297
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
2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 103882028
3-(benzamidocarbamoyl)-4-bromo-N-cyclopropylbenzenesulfonamide
CID 27839003
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778075
2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 40811240
2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 9401625
2-bromo-N-[(2-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26734286
2-bromo-5-(cyclopropylsulfamoyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 24637964

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide (CID 17484041) is 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1CCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is CQUWJSHYTDDEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c1-26-18-5-3-2-4-13(18)10-11-21-19(23)16-12-15(8-9-17(16)20)27(24,25)22-14-6-7-14/h2-5,8-9,12,14,22H,6-7,10-11H2,1H3,(H,21,23).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 453.36 g/mol, XLogP of 2.87, 8 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-[2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 17484041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).