(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide

C17H20N2OS — CID 61163105

IUPAC(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
SMILESCSc1ccc(CN(C)C(=O)[C@H](N)c2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c1-19(12-13-8-10-15(21-2)11-9-13)17(20)16(18)14-6-4-3-5-7-14/h3-11,16H,12,18H2,1-2H3/t16-/m1/s1
InChIKeyCETYPPGIGYUOAG-MRXNPFEDSA-N
MW300.43 g/mol
LogP3.07
Rot. Bonds5

About (2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide

(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide (PubChem CID 61163105) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
PubChem CID61163105
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
SMILESCSc1ccc(CN(C)C(=O)[C@H](N)c2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c1-19(12-13-8-10-15(21-2)11-9-13)17(20)16(18)14-6-4-3-5-7-14/h3-11,16H,12,18H2,1-2H3/t16-/m1/s1
InChIKeyCETYPPGIGYUOAG-MRXNPFEDSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 110879948
2-amino-N,N-dimethyl-2-(4-methylsulfanylphenyl)acetamide
CID 116850141
2-bromo-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 43346484
2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonylbutanamide
CID 60937787
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
(2S)-2-amino-N-benzyl-N-methyl-2-phenylacetamide;2,3-dihydroxy-2,3-bis(2-methylbenzoyl)butanedioic acid
CID 68954864
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide
CID 104897437
(2R)-N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylpropanamide
CID 124598211
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 31362954

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide (CID 61163105) is (2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide is CSc1ccc(CN(C)C(=O)[C@H](N)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide?
The InChIKey is CETYPPGIGYUOAG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-19(12-13-8-10-15(21-2)11-9-13)17(20)16(18)14-6-4-3-5-7-14/h3-11,16H,12,18H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide?
(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 61163105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).