methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate

C13H15NO5S2 — CID 102748041

IUPACmethyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC(C)c1ccco1
InChIInChI=1S/C13H15NO5S2/c1-8-7-20-11(13(15)18-3)12(8)21(16,17)14-9(2)10-5-4-6-19-10/h4-7,9,14H,1-3H3
InChIKeyDMRLJZWRAVXGFD-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.48
Rot. Bonds5

About methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate

methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 102748041) has the molecular formula C13H15NO5S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID102748041
Molecular FormulaC13H15NO5S2
Molecular Weight329.40 g/mol
Exact Mass329.04
IUPAC Namemethyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NC(C)c1ccco1
InChIInChI=1S/C13H15NO5S2/c1-8-7-20-11(13(15)18-3)12(8)21(16,17)14-9(2)10-5-4-6-19-10/h4-7,9,14H,1-3H3
InChIKeyDMRLJZWRAVXGFD-UHFFFAOYSA-N
XLogP2.48
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110731612
methyl 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748990
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408
methyl 3-[(2-hydroxy-3-methylbutyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749316
3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 43535569
5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81409119
methyl 3-(2-ethylbutylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749364
methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794926
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
methyl 4-methyl-3-[(1-methylcyclobutyl)sulfamoyl]thiophene-2-carboxylate
CID 102749299
methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate
CID 102749171
4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748027

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate (CID 102748041) is methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NC(C)c1ccco1.
What is the InChIKey of methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is DMRLJZWRAVXGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S2/c1-8-7-20-11(13(15)18-3)12(8)21(16,17)14-9(2)10-5-4-6-19-10/h4-7,9,14H,1-3H3.
What are the key properties of methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102748041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).