4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide

C14H15BrN2OS — CID 106011768

IUPAC4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide
SMILESCCc1ccc(CNC(=O)c2ccc(N)c(Br)c2)s1
InChIInChI=1S/C14H15BrN2OS/c1-2-10-4-5-11(19-10)8-17-14(18)9-3-6-13(16)12(15)7-9/h3-7H,2,8,16H2,1H3,(H,17,18)
InChIKeyUZMVZGGUUDLLSI-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.59
Rot. Bonds4

About 4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide

4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide (PubChem CID 106011768) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide
PubChem CID106011768
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide
SMILESCCc1ccc(CNC(=O)c2ccc(N)c(Br)c2)s1
InChIInChI=1S/C14H15BrN2OS/c1-2-10-4-5-11(19-10)8-17-14(18)9-3-6-13(16)12(15)7-9/h3-7H,2,8,16H2,1H3,(H,17,18)
InChIKeyUZMVZGGUUDLLSI-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
CID 106007399
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide
CID 112750821
N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257144
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-6-methylpyridine-4-carboxamide
CID 106015823
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46475867
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 61140170
4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362346
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-hydroxybenzamide
CID 113228296
4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide
CID 83143162
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356
3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62055195

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide (CID 106011768) is 4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide is CCc1ccc(CNC(=O)c2ccc(N)c(Br)c2)s1.
What is the InChIKey of 4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide?
The InChIKey is UZMVZGGUUDLLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-2-10-4-5-11(19-10)8-17-14(18)9-3-6-13(16)12(15)7-9/h3-7H,2,8,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide?
4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide has a molecular weight of 339.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 106011768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).