2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate

C11H17NO5S2 — CID 79818645

IUPAC2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
SMILESCc1c(C(=O)OCCOC(C)C)csc1S(N)(=O)=O
InChIInChI=1S/C11H17NO5S2/c1-7(2)16-4-5-17-10(13)9-6-18-11(8(9)3)19(12,14)15/h6-7H,4-5H2,1-3H3,(H2,12,14,15)
InChIKeyXMAPTGUKPZWHMX-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.29
Rot. Bonds6

About 2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate

2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate (PubChem CID 79818645) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
PubChem CID79818645
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC Name2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
SMILESCc1c(C(=O)OCCOC(C)C)csc1S(N)(=O)=O
InChIInChI=1S/C11H17NO5S2/c1-7(2)16-4-5-17-10(13)9-6-18-11(8(9)3)19(12,14)15/h6-7H,4-5H2,1-3H3,(H2,12,14,15)
InChIKeyXMAPTGUKPZWHMX-UHFFFAOYSA-N
XLogP1.29
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.29
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

4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819384
(3-methoxy-3-methylbutyl) 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 106668745
2-propan-2-yloxyethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 65382072
2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate
CID 60721282
4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide
CID 79818480
cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818255
N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide
CID 79818559
2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
CID 106206949
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide
CID 102915529
2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
CID 65382693
cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819218
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 104830396

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of 2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate (CID 79818645) is 2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for 2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for 2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate is Cc1c(C(=O)OCCOC(C)C)csc1S(N)(=O)=O.
What is the InChIKey of 2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The InChIKey is XMAPTGUKPZWHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-7(2)16-4-5-17-10(13)9-6-18-11(8(9)3)19(12,14)15/h6-7H,4-5H2,1-3H3,(H2,12,14,15).
What are the key properties of 2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 79818645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).