3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide

C14H15BrN2OS — CID 43725444

IUPAC3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCc2ccc(Br)s2)c1
InChIInChI=1S/C14H15BrN2OS/c1-17(2)14(18)10-4-3-5-11(8-10)16-9-12-6-7-13(15)19-12/h3-8,16H,9H2,1-2H3
InChIKeyPQJAYRBIIVHFEL-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.82
Rot. Bonds4

About 3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide

3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 43725444) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID43725444
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCc2ccc(Br)s2)c1
InChIInChI=1S/C14H15BrN2OS/c1-17(2)14(18)10-4-3-5-11(8-10)16-9-12-6-7-13(15)19-12/h3-8,16H,9H2,1-2H3
InChIKeyPQJAYRBIIVHFEL-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 102833214
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[3-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839457
N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 27839410
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467
N-[(5-bromothiophen-2-yl)methyl]-3-(methylsulfinylmethyl)aniline
CID 75385435
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
N-[(5-bromothiophen-2-yl)methyl]-3-ethoxyaniline
CID 54864892
4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide
CID 43728545
2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene
CID 43742009
N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide
CID 115160861

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide (CID 43725444) is 3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NCc2ccc(Br)s2)c1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is PQJAYRBIIVHFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-17(2)14(18)10-4-3-5-11(8-10)16-9-12-6-7-13(15)19-12/h3-8,16H,9H2,1-2H3.
What are the key properties of 3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide?
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 339.26 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43725444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).