N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide

C14H14BrNO2S — CID 60794285

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCc1cc(Br)cs1)c1ccccc1
InChIInChI=1S/C14H14BrNO2S/c1-18-13(10-5-3-2-4-6-10)14(17)16-8-12-7-11(15)9-19-12/h2-7,9,13H,8H2,1H3,(H,16,17)
InChIKeyILSKBYOSJMHVLM-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.51
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide

N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide (PubChem CID 60794285) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide
PubChem CID60794285
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCc1cc(Br)cs1)c1ccccc1
InChIInChI=1S/C14H14BrNO2S/c1-18-13(10-5-3-2-4-6-10)14(17)16-8-12-7-11(15)9-19-12/h2-7,9,13H,8H2,1H3,(H,16,17)
InChIKeyILSKBYOSJMHVLM-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide
CID 80552252
4-[(4-bromothiophen-2-yl)methylamino]-4-oxo-2-phenylbutanoic acid
CID 51121124
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 47250123
4-[(4-bromothiophen-2-yl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498514
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 77097676
(2S)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylacetamide
CID 94192857
2-methoxy-2-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 56785329
(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 95153820
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]butanamide;hydrochloride
CID 119293800
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide (CID 60794285) is N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide is COC(C(=O)NCc1cc(Br)cs1)c1ccccc1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide?
The InChIKey is ILSKBYOSJMHVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-18-13(10-5-3-2-4-6-10)14(17)16-8-12-7-11(15)9-19-12/h2-7,9,13H,8H2,1H3,(H,16,17).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide?
N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide has a molecular weight of 340.24 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 60794285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).