methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate

C19H26N2O5S2 — CID 56839394

IUPACmethyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCCCCCCNc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1OC
InChIInChI=1S/C19H26N2O5S2/c1-4-5-6-7-11-20-15-9-8-14(13-16(15)25-2)21-28(23,24)17-10-12-27-18(17)19(22)26-3/h8-10,12-13,20-21H,4-7,11H2,1-3H3
InChIKeyGOLWQTUOSVBDLZ-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.34
Rot. Bonds11

About methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 56839394) has the molecular formula C19H26N2O5S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID56839394
Molecular FormulaC19H26N2O5S2
Molecular Weight426.56 g/mol
Exact Mass426.13
IUPAC Namemethyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCCCCCCNc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1OC
InChIInChI=1S/C19H26N2O5S2/c1-4-5-6-7-11-20-15-9-8-14(13-16(15)25-2)21-28(23,24)17-10-12-27-18(17)19(22)26-3/h8-10,12-13,20-21H,4-7,11H2,1-3H3
InChIKeyGOLWQTUOSVBDLZ-UHFFFAOYSA-N
XLogP4.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate (CID 56839394) is methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate is CCCCCCNc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1OC.
What is the InChIKey of methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is GOLWQTUOSVBDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S2/c1-4-5-6-7-11-20-15-9-8-14(13-16(15)25-2)21-28(23,24)17-10-12-27-18(17)19(22)26-3/h8-10,12-13,20-21H,4-7,11H2,1-3H3.
What are the key properties of methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 426.56 g/mol, XLogP of 4.34, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(hexylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 56839394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).