5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide

C14H15BrN2OS — CID 79613364

IUPAC5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
SMILESCC(NCc1cc(C(N)=O)cs1)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2OS/c1-9(10-2-4-12(15)5-3-10)17-7-13-6-11(8-19-13)14(16)18/h2-6,8-9,17H,7H2,1H3,(H2,16,18)
InChIKeyLNRFKCXBCQZJDV-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.46
Rot. Bonds5

About 5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide

5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide (PubChem CID 79613364) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
PubChem CID79613364
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
SMILESCC(NCc1cc(C(N)=O)cs1)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2OS/c1-9(10-2-4-12(15)5-3-10)17-7-13-6-11(8-19-13)14(16)18/h2-6,8-9,17H,7H2,1H3,(H2,16,18)
InChIKeyLNRFKCXBCQZJDV-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581
5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 96526651
5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614281
5-[[1-(2-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614684
5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 81360413
5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79611660
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613858
N-[(4-bromothiophen-2-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223373
5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613665
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613995
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide (CID 79613364) is 5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide is CC(NCc1cc(C(N)=O)cs1)c1ccc(Br)cc1.
What is the InChIKey of 5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide?
The InChIKey is LNRFKCXBCQZJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9(10-2-4-12(15)5-3-10)17-7-13-6-11(8-19-13)14(16)18/h2-6,8-9,17H,7H2,1H3,(H2,16,18).
What are the key properties of 5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide?
5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).