(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide

C15H18N2OS — CID 104898011

IUPAC(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
SMILESCc1cc(CNC(=O)[C@@H](N)c2ccccc2)sc1C
InChIInChI=1S/C15H18N2OS/c1-10-8-13(19-11(10)2)9-17-15(18)14(16)12-6-4-3-5-7-12/h3-8,14H,9,16H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyIGYMPQXSJUEPJO-AWEZNQCLSA-N
MW274.39 g/mol
LogP2.68
Rot. Bonds4

About (2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide

(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide (PubChem CID 104898011) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
PubChem CID104898011
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
SMILESCc1cc(CNC(=O)[C@@H](N)c2ccccc2)sc1C
InChIInChI=1S/C15H18N2OS/c1-10-8-13(19-11(10)2)9-17-15(18)14(16)12-6-4-3-5-7-12/h3-8,14H,9,16H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyIGYMPQXSJUEPJO-AWEZNQCLSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 65241218
(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide
CID 93434478
4-amino-5-[(4,5-dimethylthiophen-2-yl)methylamino]-5-oxopentanoic acid
CID 65241327
(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide
CID 104898150
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107905367
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 79038909
(2R)-2-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 55081694
(2S)-2-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-phenylacetamide
CID 104897754
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
CID 65241605
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
CID 65241375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide (CID 104898011) is (2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide is Cc1cc(CNC(=O)[C@@H](N)c2ccccc2)sc1C.
What is the InChIKey of (2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide?
The InChIKey is IGYMPQXSJUEPJO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-8-13(19-11(10)2)9-17-15(18)14(16)12-6-4-3-5-7-12/h3-8,14H,9,16H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide?
(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide has a molecular weight of 274.39 g/mol, XLogP of 2.68, 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-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 104898011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).