ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

C18H25N3O4S — CID 120895490

IUPACethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(CCN)CCc2ccccc2)cn1C
InChIInChI=1S/C18H25N3O4S/c1-3-25-18(22)17-13-16(14-20(17)2)26(23,24)21(12-10-19)11-9-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12,19H2,1-2H3
InChIKeyFLRCSLLMUVPFDA-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.39
Rot. Bonds9

About ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 120895490) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID120895490
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Nameethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(CCN)CCc2ccccc2)cn1C
InChIInChI=1S/C18H25N3O4S/c1-3-25-18(22)17-13-16(14-20(17)2)26(23,24)21(12-10-19)11-9-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12,19H2,1-2H3
InChIKeyFLRCSLLMUVPFDA-UHFFFAOYSA-N
XLogP1.39
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (CID 120895490) is ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)N(CCN)CCc2ccccc2)cn1C.
What is the InChIKey of ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is FLRCSLLMUVPFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-3-25-18(22)17-13-16(14-20(17)2)26(23,24)21(12-10-19)11-9-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12,19H2,1-2H3.
What are the key properties of ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 379.48 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 120895490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).