2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide

C15H17ClN2OS — CID 62488935

IUPAC2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-10(12-8-9-13(16)20-12)18-14(19)15(2,17)11-6-4-3-5-7-11/h3-10H,17H2,1-2H3,(H,18,19)
InChIKeySVXQVOYKOIAHJT-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.45
Rot. Bonds4

About 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide

2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide (PubChem CID 62488935) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide
PubChem CID62488935
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-10(12-8-9-13(16)20-12)18-14(19)15(2,17)11-6-4-3-5-7-11/h3-10H,17H2,1-2H3,(H,18,19)
InChIKeySVXQVOYKOIAHJT-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide
CID 54925184
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2-amino-N-[1-(furan-2-yl)ethyl]-2-phenylpropanamide
CID 55078587
2-amino-N-[1-(2-methylphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120587054
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
2-amino-N-(1-cyclopropylethyl)-2-phenylpropanamide
CID 55078586
2-amino-N-[1-(2-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 120586910

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide (CID 62488935) is 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide is CC(NC(=O)C(C)(N)c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide?
The InChIKey is SVXQVOYKOIAHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-10(12-8-9-13(16)20-12)18-14(19)15(2,17)11-6-4-3-5-7-11/h3-10H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide?
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide has a molecular weight of 308.83 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 62488935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).