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

C23H34N2O5S2 — CID 71618385

IUPACmethyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCCCCCCCCCCNc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1OC
InChIInChI=1S/C23H34N2O5S2/c1-4-5-6-7-8-9-10-11-15-24-19-13-12-18(17-20(19)29-2)25-32(27,28)21-14-16-31-22(21)23(26)30-3/h12-14,16-17,24-25H,4-11,15H2,1-3H3
InChIKeyUWHYTSYWPYSLDP-UHFFFAOYSA-N
MW482.67 g/mol
LogP5.90
Rot. Bonds15

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

methyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 71618385) has the molecular formula C23H34N2O5S2 and a molecular weight of 482.67 g/mol. Its IUPAC name is methyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID71618385
Molecular FormulaC23H34N2O5S2
Molecular Weight482.67 g/mol
Exact Mass482.19
IUPAC Namemethyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate
SMILESCCCCCCCCCCNc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1OC
InChIInChI=1S/C23H34N2O5S2/c1-4-5-6-7-8-9-10-11-15-24-19-13-12-18(17-20(19)29-2)25-32(27,28)21-14-16-31-22(21)23(26)30-3/h12-14,16-17,24-25H,4-11,15H2,1-3H3
InChIKeyUWHYTSYWPYSLDP-UHFFFAOYSA-N
XLogP5.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 55.90
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-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate (CID 71618385) is methyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate is CCCCCCCCCCNc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1OC.
What is the InChIKey of methyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is UWHYTSYWPYSLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O5S2/c1-4-5-6-7-8-9-10-11-15-24-19-13-12-18(17-20(19)29-2)25-32(27,28)21-14-16-31-22(21)23(26)30-3/h12-14,16-17,24-25H,4-11,15H2,1-3H3.
What are the key properties of methyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 482.67 g/mol, XLogP of 5.90, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(decylamino)-3-methoxyphenyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71618385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).