2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate

C12H19NO5S2 — CID 115615927

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCCOC(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C12H19NO5S2/c1-8-10(20(13,15)16)7-9(19-8)11(14)17-5-6-18-12(2,3)4/h7H,5-6H2,1-4H3,(H2,13,15,16)
InChIKeyBSWGYWWFTVTZIM-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.68
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate

2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate (PubChem CID 115615927) has the molecular formula C12H19NO5S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
PubChem CID115615927
Molecular FormulaC12H19NO5S2
Molecular Weight321.42 g/mol
Exact Mass321.07
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCCOC(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C12H19NO5S2/c1-8-10(20(13,15)16)7-9(19-8)11(14)17-5-6-18-12(2,3)4/h7H,5-6H2,1-4H3,(H2,13,15,16)
InChIKeyBSWGYWWFTVTZIM-UHFFFAOYSA-N
XLogP1.68
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 112689917
2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676797
N-(2,2-dimethylpropyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 112689693
2-[(2-methylpropan-2-yl)oxy]ethyl 5-chloro-3-methylthiophene-2-carboxylate
CID 13376221
(3,5-dimethylcyclohexyl) 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 115994151
4-methylpentyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676798
N,5-dimethyl-N-(2-methylpropyl)-4-sulfamoylthiophene-2-carboxamide
CID 112689674
5-methyl-N-propan-2-yl-4-sulfamoyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 115994133
3,3-dimethylbutyl 4-amino-5-methylthiophene-2-carboxylate
CID 61481561
N-butyl-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 112689667
N-(2,2-difluoroethyl)-N,5-dimethyl-4-sulfamoylthiophene-2-carboxamide
CID 115612484
N,N-bis(cyclopropylmethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115629451

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate (CID 115615927) is 2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate is Cc1sc(C(=O)OCCOC(C)(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate?
The InChIKey is BSWGYWWFTVTZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S2/c1-8-10(20(13,15)16)7-9(19-8)11(14)17-5-6-18-12(2,3)4/h7H,5-6H2,1-4H3,(H2,13,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate?
2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate is sourced from PubChem (CID 115615927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).