N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride

C17H24ClN3O3S2 — CID 120886821

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C17H23N3O3S2.ClH/c1-14(19-25(22,23)16-8-5-13-24-16)17(21)20(12-10-18)11-9-15-6-3-2-4-7-15;/h2-8,13-14,19H,9-12,18H2,1H3;1H
InChIKeyRTHKZCBPPIUDLJ-UHFFFAOYSA-N
MW417.98 g/mol
LogP1.87
Rot. Bonds9

About N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride

N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride (PubChem CID 120886821) has the molecular formula C17H24ClN3O3S2 and a molecular weight of 417.98 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
PubChem CID120886821
Molecular FormulaC17H24ClN3O3S2
Molecular Weight417.98 g/mol
Exact Mass417.09
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C17H23N3O3S2.ClH/c1-14(19-25(22,23)16-8-5-13-24-16)17(21)20(12-10-18)11-9-15-6-3-2-4-7-15;/h2-8,13-14,19H,9-12,18H2,1H3;1H
InChIKeyRTHKZCBPPIUDLJ-UHFFFAOYSA-N
XLogP1.87
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride (CID 120886821) is N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride is CC(NS(=O)(=O)c1cccs1)C(=O)N(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride?
The InChIKey is RTHKZCBPPIUDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2.ClH/c1-14(19-25(22,23)16-8-5-13-24-16)17(21)20(12-10-18)11-9-15-6-3-2-4-7-15;/h2-8,13-14,19H,9-12,18H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride has a molecular weight of 417.98 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride is sourced from PubChem (CID 120886821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).