N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride

C17H22BrClN2OS — CID 120886615

IUPACN-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CCc1cc(Br)cs1
InChIInChI=1S/C17H21BrN2OS.ClH/c18-15-12-16(22-13-15)6-7-17(21)20(11-9-19)10-8-14-4-2-1-3-5-14;/h1-5,12-13H,6-11,19H2;1H
InChIKeyFCXBDIGSAYXGDQ-UHFFFAOYSA-N
MW417.80 g/mol
LogP3.89
Rot. Bonds8

About N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride

N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 120886615) has the molecular formula C17H22BrClN2OS and a molecular weight of 417.80 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID120886615
Molecular FormulaC17H22BrClN2OS
Molecular Weight417.80 g/mol
Exact Mass416.03
IUPAC NameN-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CCc1cc(Br)cs1
InChIInChI=1S/C17H21BrN2OS.ClH/c18-15-12-16(22-13-15)6-7-17(21)20(11-9-19)10-8-14-4-2-1-3-5-14;/h1-5,12-13H,6-11,19H2;1H
InChIKeyFCXBDIGSAYXGDQ-UHFFFAOYSA-N
XLogP3.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.80
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120886632
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide
CID 120885522
N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide
CID 120885666
N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)-N-(2-phenylethyl)propanamide
CID 120886620
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886931
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120885211

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride (CID 120886615) is N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)CCc1cc(Br)cs1.
What is the InChIKey of N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is FCXBDIGSAYXGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2OS.ClH/c18-15-12-16(22-13-15)6-7-17(21)20(11-9-19)10-8-14-4-2-1-3-5-14;/h1-5,12-13H,6-11,19H2;1H.
What are the key properties of N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride?
N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 417.80 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120886615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).