N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide

C17H19BrN2O4S — CID 43874029

IUPACN-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccc(Br)cc2)cc1NC(C)=O
InChIInChI=1S/C17H19BrN2O4S/c1-11(13-4-6-14(18)7-5-13)20-25(22,23)15-8-9-17(24-3)16(10-15)19-12(2)21/h4-11,20H,1-3H3,(H,19,21)
InChIKeyQRRCUYKDKKCAQI-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.46
Rot. Bonds6

About N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 43874029) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID43874029
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC NameN-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccc(Br)cc2)cc1NC(C)=O
InChIInChI=1S/C17H19BrN2O4S/c1-11(13-4-6-14(18)7-5-13)20-25(22,23)15-8-9-17(24-3)16(10-15)19-12(2)21/h4-11,20H,1-3H3,(H,19,21)
InChIKeyQRRCUYKDKKCAQI-UHFFFAOYSA-N
XLogP3.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 28557971
N-[(1S)-1-(4-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560375
N-[2-methoxy-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 43906499
N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide
CID 9190712
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
N-[4-[1-(4-fluorophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 4877871
N-[5-[[(1R)-1-(furan-2-yl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8817620
N-[5-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104873300
N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8797504
N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide
CID 28558016
N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100724795
N-[2-ethoxy-5-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 7368615

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide (CID 43874029) is N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)NC(C)c2ccc(Br)cc2)cc1NC(C)=O.
What is the InChIKey of N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is QRRCUYKDKKCAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-11(13-4-6-14(18)7-5-13)20-25(22,23)15-8-9-17(24-3)16(10-15)19-12(2)21/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 427.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 43874029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).