2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide

C21H27BrN2O4S — CID 112765400

IUPAC2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C(C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H27BrN2O4S/c1-5-24(6-2)29(26,27)20-13-7-17(8-14-20)15(3)23-21(25)16(4)28-19-11-9-18(22)10-12-19/h7-16H,5-6H2,1-4H3,(H,23,25)
InChIKeyVOZUZDTXEVEHKM-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.12
Rot. Bonds9

About 2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide

2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide (PubChem CID 112765400) has the molecular formula C21H27BrN2O4S and a molecular weight of 483.43 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
PubChem CID112765400
Molecular FormulaC21H27BrN2O4S
Molecular Weight483.43 g/mol
Exact Mass482.09
IUPAC Name2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C(C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H27BrN2O4S/c1-5-24(6-2)29(26,27)20-13-7-17(8-14-20)15(3)23-21(25)16(4)28-19-11-9-18(22)10-12-19/h7-16H,5-6H2,1-4H3,(H,23,25)
InChIKeyVOZUZDTXEVEHKM-UHFFFAOYSA-N
XLogP4.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide
CID 55339007
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 43872386
(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94843875
(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 92538260
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 55520759
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40843072
5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
CID 17448990

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide (CID 112765400) is 2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C(C)Oc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide?
The InChIKey is VOZUZDTXEVEHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O4S/c1-5-24(6-2)29(26,27)20-13-7-17(8-14-20)15(3)23-21(25)16(4)28-19-11-9-18(22)10-12-19/h7-16H,5-6H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide?
2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide has a molecular weight of 483.43 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 112765400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).