2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride

C18H25Cl2N3OS — CID 120871807

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C18H24ClN3OS.ClH/c1-21(13-16-7-8-17(19)24-16)18(23)14-22(12-10-20)11-9-15-5-3-2-4-6-15;/h2-8H,9-14,20H2,1H3;1H
InChIKeyAHNLMZZYDWLDQU-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.29
Rot. Bonds9

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride

2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride (PubChem CID 120871807) has the molecular formula C18H25Cl2N3OS and a molecular weight of 402.39 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
PubChem CID120871807
Molecular FormulaC18H25Cl2N3OS
Molecular Weight402.39 g/mol
Exact Mass401.11
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C18H24ClN3OS.ClH/c1-21(13-16-7-8-17(19)24-16)18(23)14-22(12-10-20)11-9-15-5-3-2-4-6-15;/h2-8H,9-14,20H2,1H3;1H
InChIKeyAHNLMZZYDWLDQU-UHFFFAOYSA-N
XLogP3.29
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride with MolForge

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 120871808
2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 55103655
2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
CID 120871888
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(3-phenylpropylsulfonyl)acetamide
CID 55687936
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
N-[(4-bromothiophen-2-yl)methyl]-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide
CID 86942956
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride
CID 120872403
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62820318
ethyl 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetate
CID 62011016
N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120885512
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride (CID 120871807) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride is CN(Cc1ccc(Cl)s1)C(=O)CN(CCN)CCc1ccccc1.Cl.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride?
The InChIKey is AHNLMZZYDWLDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3OS.ClH/c1-21(13-16-7-8-17(19)24-16)18(23)14-22(12-10-20)11-9-15-5-3-2-4-6-15;/h2-8H,9-14,20H2,1H3;1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride has a molecular weight of 402.39 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 120871807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).