4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide

C15H17BrN2OS — CID 60938086

IUPAC4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C15H17BrN2OS/c1-3-18(9-12-5-7-14(16)20-12)15(19)11-4-6-13(17)10(2)8-11/h4-8H,3,9,17H2,1-2H3
InChIKeyVQXNSGSXDYIRAI-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.06
Rot. Bonds4

About 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide

4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide (PubChem CID 60938086) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide
PubChem CID60938086
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide
SMILESCCN(Cc1ccc(Br)s1)C(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C15H17BrN2OS/c1-3-18(9-12-5-7-14(16)20-12)15(19)11-4-6-13(17)10(2)8-11/h4-8H,3,9,17H2,1-2H3
InChIKeyVQXNSGSXDYIRAI-UHFFFAOYSA-N
XLogP4.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide
CID 60654918
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-N-ethyl-4-iodobenzamide
CID 103221617
5-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296169
1-(4-amino-3-methylphenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 116553879
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2,3-dichloro-N-ethylbenzamide
CID 107184564
2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107952046
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
CID 62649246
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60674504
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938199
3-[(5-bromothiophen-2-yl)methyl-ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837122

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide (CID 60938086) is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide is CCN(Cc1ccc(Br)s1)C(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide?
The InChIKey is VQXNSGSXDYIRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-3-18(9-12-5-7-14(16)20-12)15(19)11-4-6-13(17)10(2)8-11/h4-8H,3,9,17H2,1-2H3.
What are the key properties of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide?
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide has a molecular weight of 353.29 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 60938086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).