3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide

C14H15BrN2OS — CID 43726901

IUPAC3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCc2ccc(Br)s2)c1
InChIInChI=1S/C14H15BrN2OS/c1-9-3-4-10(14(18)16-2)7-12(9)17-8-11-5-6-13(15)19-11/h3-7,17H,8H2,1-2H3,(H,16,18)
InChIKeyAQXMDFHCZSDGSV-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.79
Rot. Bonds4

About 3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide

3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide (PubChem CID 43726901) 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,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide
PubChem CID43726901
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCc2ccc(Br)s2)c1
InChIInChI=1S/C14H15BrN2OS/c1-9-3-4-10(14(18)16-2)7-12(9)17-8-11-5-6-13(15)19-11/h3-7,17H,8H2,1-2H3,(H,16,18)
InChIKeyAQXMDFHCZSDGSV-UHFFFAOYSA-N
XLogP3.79
TPSA41.13 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 ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromothiophen-2-yl)methylamino]-3-methylbenzamide
CID 43706863
4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide
CID 102833731
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884
4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 43720922
N,4-dimethyl-3-(thiophen-3-ylmethylamino)benzamide
CID 43726886
3-[(5-bromo-2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726850
3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
CID 61325560
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methylbenzoic acid
CID 102833297
3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide
CID 63324723
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008607

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide (CID 43726901) is 3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NCc2ccc(Br)s2)c1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide?
The InChIKey is AQXMDFHCZSDGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9-3-4-10(14(18)16-2)7-12(9)17-8-11-5-6-13(15)19-11/h3-7,17H,8H2,1-2H3,(H,16,18).
What are the key properties of 3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide?
3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide has a molecular weight of 339.26 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide is sourced from PubChem (CID 43726901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).