methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate

C17H21N3O4S — CID 120895258

IUPACmethyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cn1
InChIInChI=1S/C17H21N3O4S/c1-24-17(21)16-8-7-15(13-19-16)25(22,23)20(12-10-18)11-9-14-5-3-2-4-6-14/h2-8,13H,9-12,18H2,1H3
InChIKeyNUMKQCFATGVSBS-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.06
Rot. Bonds8

About methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate

methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate (PubChem CID 120895258) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate
PubChem CID120895258
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Namemethyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cn1
InChIInChI=1S/C17H21N3O4S/c1-24-17(21)16-8-7-15(13-19-16)25(22,23)20(12-10-18)11-9-14-5-3-2-4-6-14/h2-8,13H,9-12,18H2,1H3
InChIKeyNUMKQCFATGVSBS-UHFFFAOYSA-N
XLogP1.06
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 120877148
methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride
CID 120895713
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4-fluorobenzoate
CID 120895887
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4-fluorobenzoate;hydrochloride
CID 120895886
methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4,5-dimethylbenzoate
CID 120895879
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-fluorobenzoate
CID 120895566
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305
N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 120895644
ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 120895490

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate (CID 120895258) is methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)cn1.
What is the InChIKey of methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate?
The InChIKey is NUMKQCFATGVSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-24-17(21)16-8-7-15(13-19-16)25(22,23)20(12-10-18)11-9-14-5-3-2-4-6-14/h2-8,13H,9-12,18H2,1H3.
What are the key properties of methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate?
methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate has a molecular weight of 363.44 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 120895258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).