2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide

C13H13BrN2O2S — CID 115412848

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(Br)s2)c(N)c1
InChIInChI=1S/C13H13BrN2O2S/c1-18-8-2-4-10(11(15)6-8)13(17)16-7-9-3-5-12(14)19-9/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyHZVAIQRSYSLGBL-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.03
Rot. Bonds4

About 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide

2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide (PubChem CID 115412848) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
PubChem CID115412848
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(Br)s2)c(N)c1
InChIInChI=1S/C13H13BrN2O2S/c1-18-8-2-4-10(11(15)6-8)13(17)16-7-9-3-5-12(14)19-9/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyHZVAIQRSYSLGBL-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 115413011
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 61140170
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 32775638
N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide
CID 32775718
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 114332211
2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227142
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
CID 115413362
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 32775769
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 61139794
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide
CID 82546293

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide (CID 115412848) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(Br)s2)c(N)c1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide?
The InChIKey is HZVAIQRSYSLGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-18-8-2-4-10(11(15)6-8)13(17)16-7-9-3-5-12(14)19-9/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide?
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide has a molecular weight of 341.23 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 115412848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).