3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride

C15H18Cl2N2OS — CID 119950206

IUPAC3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NCCc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H17ClN2OS.ClH/c16-14-7-6-12(20-14)8-9-18-15(19)10-13(17)11-4-2-1-3-5-11;/h1-7,13H,8-10,17H2,(H,18,19);1H
InChIKeyRZDMEFJKAGEINK-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.57
Rot. Bonds6

About 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119950206) has the molecular formula C15H18Cl2N2OS and a molecular weight of 345.30 g/mol. Its IUPAC name is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119950206
Molecular FormulaC15H18Cl2N2OS
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NCCc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H17ClN2OS.ClH/c16-14-7-6-12(20-14)8-9-18-15(19)10-13(17)11-4-2-1-3-5-11;/h1-7,13H,8-10,17H2,(H,18,19);1H
InChIKeyRZDMEFJKAGEINK-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119735845
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 103809470
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
CID 119949448
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride (CID 119950206) is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)NCCc1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is RZDMEFJKAGEINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS.ClH/c16-14-7-6-12(20-14)8-9-18-15(19)10-13(17)11-4-2-1-3-5-11;/h1-7,13H,8-10,17H2,(H,18,19);1H.
What are the key properties of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 345.30 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).