N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide

C21H24BrFN2O3S — CID 55593770

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H24BrFN2O3S/c1-2-25(14-16-13-17(22)6-11-20(16)23)21(26)12-5-15-3-9-19(10-4-15)29(27,28)24-18-7-8-18/h3-4,6,9-11,13,18,24H,2,5,7-8,12,14H2,1H3
InChIKeyBAGXHBPOAAJIAC-UHFFFAOYSA-N
MW483.40 g/mol
LogP4.01
Rot. Bonds9

About N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide

N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide (PubChem CID 55593770) has the molecular formula C21H24BrFN2O3S and a molecular weight of 483.40 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide
PubChem CID55593770
Molecular FormulaC21H24BrFN2O3S
Molecular Weight483.40 g/mol
Exact Mass482.07
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H24BrFN2O3S/c1-2-25(14-16-13-17(22)6-11-20(16)23)21(26)12-5-15-3-9-19(10-4-15)29(27,28)24-18-7-8-18/h3-4,6,9-11,13,18,24H,2,5,7-8,12,14H2,1H3
InChIKeyBAGXHBPOAAJIAC-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-(cyclopropylsulfamoyl)-N-ethylbenzamide
CID 55594795
3-(1,3-benzodioxol-5-yl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpropanamide
CID 55595029
N-[(5-bromo-2-fluorophenyl)methyl]-2-(cyclopropylcarbamoylamino)-N-ethylacetamide
CID 51123201
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
CID 55594554
N-butyl-3-[4-(cyclopentylsulfamoyl)phenyl]-N-methylpropanamide
CID 110355911
2-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-(3-hydroxypropyl)propanamide
CID 133149801
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide
CID 55632337
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
CID 55586408
2-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133214981
2-[(4-chlorophenyl)methyl-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoyl]amino]-N-prop-2-enylpropanamide
CID 133149295

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide (CID 55593770) is N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide is CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide?
The InChIKey is BAGXHBPOAAJIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrFN2O3S/c1-2-25(14-16-13-17(22)6-11-20(16)23)21(26)12-5-15-3-9-19(10-4-15)29(27,28)24-18-7-8-18/h3-4,6,9-11,13,18,24H,2,5,7-8,12,14H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide?
N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide has a molecular weight of 483.40 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-ethylpropanamide is sourced from PubChem (CID 55593770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).