2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide

C17H20N2OS — CID 62770547

IUPAC2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide
SMILESCc1ccccc1CSCC(N)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13-7-5-6-8-14(13)11-21-12-17(19,16(18)20)15-9-3-2-4-10-15/h2-10H,11-12,19H2,1H3,(H2,18,20)
InChIKeyLXHOVOLMFSZSPW-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.57
Rot. Bonds6

About 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide

2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide (PubChem CID 62770547) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide
PubChem CID62770547
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide
SMILESCc1ccccc1CSCC(N)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13-7-5-6-8-14(13)11-21-12-17(19,16(18)20)15-9-3-2-4-10-15/h2-10H,11-12,19H2,1H3,(H2,18,20)
InChIKeyLXHOVOLMFSZSPW-UHFFFAOYSA-N
XLogP2.57
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropan-1-ol
CID 64806319
2,2-dimethyl-3-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 79630032
2-(ethylamino)-2-methyl-3-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 62770204
2-amino-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropanamide
CID 63466569
methyl 2,2-dimethyl-3-[(2-methylphenyl)methylsulfanyl]propanoate
CID 79630033
2-[2-[(2-amino-2-methylpropyl)sulfanylmethyl]phenyl]acetic acid
CID 115461007
1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 62771239
2-(cyclopropylamino)-2-methyl-3-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 55113216
2,3-dimethyl-1-[(2-methylphenyl)methylsulfanyl]butan-2-ol
CID 114447547
2-cyclopropyl-3-[(2-methylphenyl)methylsulfanyl]-2-(propan-2-ylamino)propanoic acid
CID 63919667
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide
CID 116694611

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide (CID 62770547) is 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide is Cc1ccccc1CSCC(N)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide?
The InChIKey is LXHOVOLMFSZSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-7-5-6-8-14(13)11-21-12-17(19,16(18)20)15-9-3-2-4-10-15/h2-10H,11-12,19H2,1H3,(H2,18,20).
What are the key properties of 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide?
2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide has a molecular weight of 300.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide is sourced from PubChem (CID 62770547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).