(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide

C13H13BrN2OS — CID 93434478

IUPAC(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide
SMILESN[C@H](C(=O)NCc1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C13H13BrN2OS/c14-11-7-6-10(18-11)8-16-13(17)12(15)9-4-2-1-3-5-9/h1-7,12H,8,15H2,(H,16,17)/t12-/m0/s1
InChIKeyHSQIDSIJTXUJBE-LBPRGKRZSA-N
MW325.23 g/mol
LogP2.83
Rot. Bonds4

About (2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide

(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide (PubChem CID 93434478) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide
PubChem CID93434478
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide
SMILESN[C@H](C(=O)NCc1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C13H13BrN2OS/c14-11-7-6-10(18-11)8-16-13(17)12(15)9-4-2-1-3-5-9/h1-7,12H,8,15H2,(H,16,17)/t12-/m0/s1
InChIKeyHSQIDSIJTXUJBE-LBPRGKRZSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382
N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide
CID 54900213
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylbutanamide
CID 61165377
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 65241218
(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 104898011
(2S)-2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-phenylacetic acid
CID 103995699
2-amino-4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutanoic acid
CID 115181064
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-2-phenylacetamide
CID 96927089
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide
CID 103814835

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide (CID 93434478) is (2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide is N[C@H](C(=O)NCc1ccc(Br)s1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide?
The InChIKey is HSQIDSIJTXUJBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c14-11-7-6-10(18-11)8-16-13(17)12(15)9-4-2-1-3-5-9/h1-7,12H,8,15H2,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide?
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide has a molecular weight of 325.23 g/mol, XLogP of 2.83, 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-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 93434478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).