(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide

C14H16N2OS — CID 104898150

IUPAC(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide
SMILESCc1cscc1CNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-10-8-18-9-12(10)7-16-14(17)13(15)11-5-3-2-4-6-11/h2-6,8-9,13H,7,15H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyDAEFJGBOJKXFJV-ZDUSSCGKSA-N
MW260.36 g/mol
LogP2.37
Rot. Bonds4

About (2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide

(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide (PubChem CID 104898150) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide
PubChem CID104898150
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide
SMILESCc1cscc1CNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-10-8-18-9-12(10)7-16-14(17)13(15)11-5-3-2-4-6-11/h2-6,8-9,13H,7,15H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyDAEFJGBOJKXFJV-ZDUSSCGKSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 60924991
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
CID 104897686
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-2-phenylacetamide
CID 104941421
(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382
(2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide
CID 104903741
(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 104898011
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 65241218
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 54896815
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 112669565
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-2-phenylacetamide
CID 96927089
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide (CID 104898150) is (2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide is Cc1cscc1CNC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide?
The InChIKey is DAEFJGBOJKXFJV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-8-18-9-12(10)7-16-14(17)13(15)11-5-3-2-4-6-11/h2-6,8-9,13H,7,15H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide?
(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide has a molecular weight of 260.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 104898150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).