2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride

C15H19ClN2OS — CID 120588017

IUPAC2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
SMILESCc1ccsc1CNC(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C15H18N2OS.ClH/c1-11-8-9-19-13(11)10-17-14(18)15(2,16)12-6-4-3-5-7-12;/h3-9H,10,16H2,1-2H3,(H,17,18);1H
InChIKeyVJTMVZALVUHJIU-UHFFFAOYSA-N
MW310.85 g/mol
LogP2.97
Rot. Bonds4

About 2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120588017) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
PubChem CID120588017
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
SMILESCc1ccsc1CNC(=O)C(C)(N)c1ccccc1.Cl
InChIInChI=1S/C15H18N2OS.ClH/c1-11-8-9-19-13(11)10-17-14(18)15(2,16)12-6-4-3-5-7-12;/h3-9H,10,16H2,1-2H3,(H,17,18);1H
InChIKeyVJTMVZALVUHJIU-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597144
1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol
CID 78956096
ethyl 2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylate;dihydrochloride
CID 120596964
2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120595863
2-[[(2-amino-2-phenylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380511
2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
2-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-1-ol
CID 113237010
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 120588462
2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590598

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride (CID 120588017) is 2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride is Cc1ccsc1CNC(=O)C(C)(N)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is VJTMVZALVUHJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.ClH/c1-11-8-9-19-13(11)10-17-14(18)15(2,16)12-6-4-3-5-7-12;/h3-9H,10,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120588017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).