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

C16H19ClN2OS — CID 103809470

IUPAC3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCCc1ccc(Cl)s1)C(N)c1ccccc1
InChIInChI=1S/C16H19ClN2OS/c1-11(15(18)12-5-3-2-4-6-12)16(20)19-10-9-13-7-8-14(17)21-13/h2-8,11,15H,9-10,18H2,1H3,(H,19,20)
InChIKeyLOHZWDJSXSHFMD-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.40
Rot. Bonds6

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

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide (PubChem CID 103809470) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
PubChem CID103809470
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCCc1ccc(Cl)s1)C(N)c1ccccc1
InChIInChI=1S/C16H19ClN2OS/c1-11(15(18)12-5-3-2-4-6-12)16(20)19-10-9-13-7-8-14(17)21-13/h2-8,11,15H,9-10,18H2,1H3,(H,19,20)
InChIKeyLOHZWDJSXSHFMD-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119735845
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119950206
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119736260
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119727868
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
CID 86996141
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119788038
(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 94199388
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide (CID 103809470) is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide is CC(C(=O)NCCc1ccc(Cl)s1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is LOHZWDJSXSHFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-11(15(18)12-5-3-2-4-6-12)16(20)19-10-9-13-7-8-14(17)21-13/h2-8,11,15H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 322.86 g/mol, XLogP of 3.40, 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]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 103809470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).