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

C19H26N2O5S2 — CID 71114651

IUPACmethyl 3-[[4-(hexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCCCCCCNc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)c(OC)c1
InChIInChI=1S/C19H26N2O5S2/c1-4-5-6-7-11-20-14-8-9-15(16(13-14)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
InChIKeyMRWCGEOYGFZZCJ-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.34
Rot. Bonds11

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

methyl 3-[[4-(hexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 71114651) has the molecular formula C19H26N2O5S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is methyl 3-[[4-(hexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(hexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID71114651
Molecular FormulaC19H26N2O5S2
Molecular Weight426.56 g/mol
Exact Mass426.13
IUPAC Namemethyl 3-[[4-(hexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCCCCCCNc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)c(OC)c1
InChIInChI=1S/C19H26N2O5S2/c1-4-5-6-7-11-20-14-8-9-15(16(13-14)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
InChIKeyMRWCGEOYGFZZCJ-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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Related Compounds

Gsk0660
CID 46233311
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CID 3911764
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3932813
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
CID 4983871
4-[[4-[(3-Methoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide
CID 16025151
N-(4-Amino-2-methoxyphenyl)-2-thiophenecarboxamide
CID 676365
Zinc01192507
CID 1353264
Methyl 3-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}thiophene-2-carboxylate
CID 3722886
N-(2,5-Dimethoxyphenyl)-2-[N-methyl5-(morpholine-4-carbonyl)thiophene-2-sulfonamido]acetamide
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Thiophene-2-carboxylic acid (2,5-diethoxy-4-methanesulfonylamino-phenyl)-amide
CID 655568
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CID 2090209

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(hexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[4-(hexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate (CID 71114651) is methyl 3-[[4-(hexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-(hexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[4-(hexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate is CCCCCCNc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)c(OC)c1.
What is the InChIKey of methyl 3-[[4-(hexylamino)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is MRWCGEOYGFZZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S2/c1-4-5-6-7-11-20-14-8-9-15(16(13-14)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)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[4-(hexylamino)-2-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)-2-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71114651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).