N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide

C23H23BrN2O4S — CID 43915601

IUPACN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1OC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H23BrN2O4S/c1-3-17-6-4-5-7-22(17)30-16(2)23(27)25-19-12-14-21(15-13-19)31(28,29)26-20-10-8-18(24)9-11-20/h4-16,26H,3H2,1-2H3,(H,25,27)
InChIKeyQZMUDXFNPIPACZ-UHFFFAOYSA-N
MW503.42 g/mol
LogP5.22
Rot. Bonds8

About N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide (PubChem CID 43915601) has the molecular formula C23H23BrN2O4S and a molecular weight of 503.42 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide
PubChem CID43915601
Molecular FormulaC23H23BrN2O4S
Molecular Weight503.42 g/mol
Exact Mass502.06
IUPAC NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1OC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H23BrN2O4S/c1-3-17-6-4-5-7-22(17)30-16(2)23(27)25-19-12-14-21(15-13-19)31(28,29)26-20-10-8-18(24)9-11-20/h4-16,26H,3H2,1-2H3,(H,25,27)
InChIKeyQZMUDXFNPIPACZ-UHFFFAOYSA-N
XLogP5.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.42
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 92646395
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 94012374
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 28570993
N-[4-(phenylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43915337
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide
CID 21173355
(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 93487080
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 99131609
2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 132673275
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 43886755
(2R)-2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 92681510

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide?
The IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide (CID 43915601) is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide is CCc1ccccc1OC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide?
The InChIKey is QZMUDXFNPIPACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4S/c1-3-17-6-4-5-7-22(17)30-16(2)23(27)25-19-12-14-21(15-13-19)31(28,29)26-20-10-8-18(24)9-11-20/h4-16,26H,3H2,1-2H3,(H,25,27).
What are the key properties of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide?
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide has a molecular weight of 503.42 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 43915601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).