methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate

C15H17NO5S2 — CID 71804782

IUPACmethyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC(OC)c2ccsc2)cc1
InChIInChI=1S/C15H17NO5S2/c1-20-14(12-7-8-22-10-12)9-16-23(18,19)13-5-3-11(4-6-13)15(17)21-2/h3-8,10,14,16H,9H2,1-2H3
InChIKeyDBKNXRUDISNLCA-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.20
Rot. Bonds7

About methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate

methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate (PubChem CID 71804782) has the molecular formula C15H17NO5S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate
PubChem CID71804782
Molecular FormulaC15H17NO5S2
Molecular Weight355.44 g/mol
Exact Mass355.05
IUPAC Namemethyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC(OC)c2ccsc2)cc1
InChIInChI=1S/C15H17NO5S2/c1-20-14(12-7-8-22-10-12)9-16-23(18,19)13-5-3-11(4-6-13)15(17)21-2/h3-8,10,14,16H,9H2,1-2H3
InChIKeyDBKNXRUDISNLCA-UHFFFAOYSA-N
XLogP2.20
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584060
N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 90584021
N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
CID 90584057
4-fluoro-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-3-methylbenzenesulfonamide
CID 97414472
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 97414483
3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584031
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 90584008
methyl 4-[[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 71810408
2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584014
2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 97427133
methyl 4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]benzoate
CID 115302902
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate (CID 71804782) is methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCC(OC)c2ccsc2)cc1.
What is the InChIKey of methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate?
The InChIKey is DBKNXRUDISNLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S2/c1-20-14(12-7-8-22-10-12)9-16-23(18,19)13-5-3-11(4-6-13)15(17)21-2/h3-8,10,14,16H,9H2,1-2H3.
What are the key properties of methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate?
methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate has a molecular weight of 355.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate is sourced from PubChem (CID 71804782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).