methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate

C16H17NO8S2 — CID 2809480

IUPACmethyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C16H17NO8S2/c1-22-11-7-9(15(18)24-3)10(8-12(11)23-2)17-27(20,21)13-5-6-26-14(13)16(19)25-4/h5-8,17H,1-4H3
InChIKeyPFLRQPAFNYALBQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.14
Rot. Bonds7

About methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 2809480) has the molecular formula C16H17NO8S2 and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID2809480
Molecular FormulaC16H17NO8S2
Molecular Weight415.45 g/mol
Exact Mass415.04
IUPAC Namemethyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C16H17NO8S2/c1-22-11-7-9(15(18)24-3)10(8-12(11)23-2)17-27(20,21)13-5-6-26-14(13)16(19)25-4/h5-8,17H,1-4H3
InChIKeyPFLRQPAFNYALBQ-UHFFFAOYSA-N
XLogP2.14
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate (CID 2809480) is methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is PFLRQPAFNYALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO8S2/c1-22-11-7-9(15(18)24-3)10(8-12(11)23-2)17-27(20,21)13-5-6-26-14(13)16(19)25-4/h5-8,17H,1-4H3.
What are the key properties of methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 2809480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).