N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide

C19H23BrN2O4S — CID 43874000

IUPACN-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)NC(C)c2cccc(Br)c2)ccc1OC
InChIInChI=1S/C19H23BrN2O4S/c1-4-10-21-27(24,25)18-12-15(8-9-17(18)26-3)19(23)22-13(2)14-6-5-7-16(20)11-14/h5-9,11-13,21H,4,10H2,1-3H3,(H,22,23)
InChIKeyJTHKFSXDSGRZBX-UHFFFAOYSA-N
MW455.37 g/mol
LogP3.64
Rot. Bonds8

About N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide

N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide (PubChem CID 43874000) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide
PubChem CID43874000
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC NameN-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)NC(C)c2cccc(Br)c2)ccc1OC
InChIInChI=1S/C19H23BrN2O4S/c1-4-10-21-27(24,25)18-12-15(8-9-17(18)26-3)19(23)22-13(2)14-6-5-7-16(20)11-14/h5-9,11-13,21H,4,10H2,1-3H3,(H,22,23)
InChIKeyJTHKFSXDSGRZBX-UHFFFAOYSA-N
XLogP3.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557646
N-[(1S)-1-(3-bromophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 28557745
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
CID 46585346
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988
methyl (3R)-3-(3-bromophenyl)-3-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 52908538
3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 28557712
3-(tert-butylsulfamoyl)-N-[1-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 43003256
N-[1-(3-bromophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46599431
N-benzhydryl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373733
4-methoxy-N-(3-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 18892405
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 28557669
3-(ethylsulfamoyl)-4-methoxy-N-[(2S)-pentan-2-yl]benzamide
CID 25419357

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide (CID 43874000) is N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1cc(C(=O)NC(C)c2cccc(Br)c2)ccc1OC.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide?
The InChIKey is JTHKFSXDSGRZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-4-10-21-27(24,25)18-12-15(8-9-17(18)26-3)19(23)22-13(2)14-6-5-7-16(20)11-14/h5-9,11-13,21H,4,10H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide?
N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide has a molecular weight of 455.37 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide is sourced from PubChem (CID 43874000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).