(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide

C22H21BrN2O5S — CID 93487080

IUPAC(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1
InChIInChI=1S/C22H21BrN2O5S/c1-15(30-20-5-3-4-19(14-20)29-2)22(26)24-17-10-12-21(13-11-17)31(27,28)25-18-8-6-16(23)7-9-18/h3-15,25H,1-2H3,(H,24,26)/t15-/m1/s1
InChIKeyGLWLCVGPYWBHLU-OAHLLOKOSA-N
MW505.39 g/mol
LogP4.66
Rot. Bonds8

About (2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide

(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide (PubChem CID 93487080) has the molecular formula C22H21BrN2O5S and a molecular weight of 505.39 g/mol. Its IUPAC name is (2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
PubChem CID93487080
Molecular FormulaC22H21BrN2O5S
Molecular Weight505.39 g/mol
Exact Mass504.04
IUPAC Name(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1
InChIInChI=1S/C22H21BrN2O5S/c1-15(30-20-5-3-4-19(14-20)29-2)22(26)24-17-10-12-21(13-11-17)31(27,28)25-18-8-6-16(23)7-9-18/h3-15,25H,1-2H3,(H,24,26)/t15-/m1/s1
InChIKeyGLWLCVGPYWBHLU-OAHLLOKOSA-N
XLogP4.66
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.39
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide
CID 21173355
(2S)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 30392024
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 94012774
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
(2S)-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 99955586
(2R)-2-(3-methoxyphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 99957789
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
(2S)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 92673273
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 19203957
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide (CID 93487080) is (2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide is COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1.
What is the InChIKey of (2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide?
The InChIKey is GLWLCVGPYWBHLU-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21BrN2O5S/c1-15(30-20-5-3-4-19(14-20)29-2)22(26)24-17-10-12-21(13-11-17)31(27,28)25-18-8-6-16(23)7-9-18/h3-15,25H,1-2H3,(H,24,26)/t15-/m1/s1.
What are the key properties of (2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide?
(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide has a molecular weight of 505.39 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide is sourced from PubChem (CID 93487080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).