methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate

C8H9BrN2O5S2 — CID 64591938

IUPACmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCC(N)=O)c(Br)s1
InChIInChI=1S/C8H9BrN2O5S2/c1-16-8(13)4-2-5(7(9)17-4)18(14,15)11-3-6(10)12/h2,11H,3H2,1H3,(H2,10,12)
InChIKeyVJYZMGQZGOYFHP-UHFFFAOYSA-N
MW357.21 g/mol
LogP0.06
Rot. Bonds5

About methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate

methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate (PubChem CID 64591938) has the molecular formula C8H9BrN2O5S2 and a molecular weight of 357.21 g/mol. Its IUPAC name is methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate
PubChem CID64591938
Molecular FormulaC8H9BrN2O5S2
Molecular Weight357.21 g/mol
Exact Mass355.91
IUPAC Namemethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCC(N)=O)c(Br)s1
InChIInChI=1S/C8H9BrN2O5S2/c1-16-8(13)4-2-5(7(9)17-4)18(14,15)11-3-6(10)12/h2,11H,3H2,1H3,(H2,10,12)
InChIKeyVJYZMGQZGOYFHP-UHFFFAOYSA-N
XLogP0.06
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate with MolForge

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Related Compounds

methyl 5-bromo-4-[[(2R)-2-hydroxypropyl]sulfamoyl]thiophene-2-carboxylate
CID 83030015
methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate
CID 37476569
methyl 5-bromo-4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]thiophene-2-carboxylate
CID 65113005
methyl 5-bromo-4-[(3-hydroxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylate
CID 65034395
methyl 5-bromo-4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]thiophene-2-carboxylate
CID 63298803
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113437801
methyl 5-bromo-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)thiophene-2-carboxylate
CID 60983211
(2S)-2-[(2-bromo-5-methoxycarbonylthiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61142027
methyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-5-bromothiophene-2-carboxylate
CID 65188352
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 61403030

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate?
The IUPAC name of methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate (CID 64591938) is methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate?
The canonical SMILES for methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCC(N)=O)c(Br)s1.
What is the InChIKey of methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate?
The InChIKey is VJYZMGQZGOYFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O5S2/c1-16-8(13)4-2-5(7(9)17-4)18(14,15)11-3-6(10)12/h2,11H,3H2,1H3,(H2,10,12).
What are the key properties of methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate?
methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate has a molecular weight of 357.21 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate is sourced from PubChem (CID 64591938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).