(2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide

C16H20N2OS — CID 119328368

IUPAC(2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide
SMILESCc1ccsc1C(Cc1ccccc1)NC(=O)[C@@H](C)N
InChIInChI=1S/C16H20N2OS/c1-11-8-9-20-15(11)14(18-16(19)12(2)17)10-13-6-4-3-5-7-13/h3-9,12,14H,10,17H2,1-2H3,(H,18,19)/t12-,14?/m1/s1
InChIKeyJHWIJXILCVPPCO-PUODRLBUSA-N
MW288.42 g/mol
LogP2.80
Rot. Bonds5

About (2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide

(2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide (PubChem CID 119328368) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide
PubChem CID119328368
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide
SMILESCc1ccsc1C(Cc1ccccc1)NC(=O)[C@@H](C)N
InChIInChI=1S/C16H20N2OS/c1-11-8-9-20-15(11)14(18-16(19)12(2)17)10-13-6-4-3-5-7-13/h3-9,12,14H,10,17H2,1-2H3,(H,18,19)/t12-,14?/m1/s1
InChIKeyJHWIJXILCVPPCO-PUODRLBUSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
4-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673728
2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride
CID 119792182
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 56793656
(2S,5R)-5-(aminomethyl)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]oxolane-2-carboxamide
CID 120793910
(2S)-2-amino-N-(1-phenylpentan-2-yl)propanamide
CID 119317190
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
2-amino-N-[1-(3-methylthiophen-2-yl)-2-(2-nitrophenyl)ethyl]butanamide
CID 57258848
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
CID 166294961
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide (CID 119328368) is (2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide is Cc1ccsc1C(Cc1ccccc1)NC(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide?
The InChIKey is JHWIJXILCVPPCO-PUODRLBUSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-8-9-20-15(11)14(18-16(19)12(2)17)10-13-6-4-3-5-7-13/h3-9,12,14H,10,17H2,1-2H3,(H,18,19)/t12-,14?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide?
(2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide has a molecular weight of 288.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide is sourced from PubChem (CID 119328368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).