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

C22H21BrN2O4S — CID 21173355

IUPACN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1
InChIInChI=1S/C22H21BrN2O4S/c1-15-4-3-5-20(14-15)29-16(2)22(26)24-18-10-12-21(13-11-18)30(27,28)25-19-8-6-17(23)7-9-19/h3-14,16,25H,1-2H3,(H,24,26)
InChIKeyDHGVWTHRHJFMIL-UHFFFAOYSA-N
MW489.39 g/mol
LogP4.96
Rot. Bonds7

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

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide (PubChem CID 21173355) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide
PubChem CID21173355
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1
InChIInChI=1S/C22H21BrN2O4S/c1-15-4-3-5-20(14-15)29-16(2)22(26)24-18-10-12-21(13-11-18)30(27,28)25-19-8-6-17(23)7-9-19/h3-14,16,25H,1-2H3,(H,24,26)
InChIKeyDHGVWTHRHJFMIL-UHFFFAOYSA-N
XLogP4.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 93487080
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
(2R)-2-(4-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41269416
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide
CID 43915601
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389
(2S)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 30392024
(2S)-2-(3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 7760214
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide (CID 21173355) is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1.
What is the InChIKey of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is DHGVWTHRHJFMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-15-4-3-5-20(14-15)29-16(2)22(26)24-18-10-12-21(13-11-18)30(27,28)25-19-8-6-17(23)7-9-19/h3-14,16,25H,1-2H3,(H,24,26).
What are the key properties of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide?
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 489.39 g/mol, XLogP of 4.96, 7 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-(3-methylphenoxy)propanamide is sourced from PubChem (CID 21173355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).