2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide

C14H15BrN2OS — CID 43714168

IUPAC2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2cc(Br)cs2)cc1
InChIInChI=1S/C14H15BrN2OS/c1-16-14(18)6-10-2-4-12(5-3-10)17-8-13-7-11(15)9-19-13/h2-5,7,9,17H,6,8H2,1H3,(H,16,18)
InChIKeyFCFUIGKLSNTIFG-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.41
Rot. Bonds5

About 2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide

2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide (PubChem CID 43714168) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
PubChem CID43714168
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2cc(Br)cs2)cc1
InChIInChI=1S/C14H15BrN2OS/c1-16-14(18)6-10-2-4-12(5-3-10)17-8-13-7-11(15)9-19-13/h2-5,7,9,17H,6,8H2,1H3,(H,16,18)
InChIKeyFCFUIGKLSNTIFG-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 115586166
2-[4-[(3-bromophenyl)methylamino]phenyl]-N-methylacetamide
CID 43713933
2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62347331
2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43713887
2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide
CID 102975677
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
4-[(4-bromothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 115485490
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide
CID 54862670
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
CID 43713977
5-[(4-bromothiophen-2-yl)methylamino]-2-fluorobenzoic acid
CID 43728012

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide (CID 43714168) is 2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NCc2cc(Br)cs2)cc1.
What is the InChIKey of 2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is FCFUIGKLSNTIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-16-14(18)6-10-2-4-12(5-3-10)17-8-13-7-11(15)9-19-13/h2-5,7,9,17H,6,8H2,1H3,(H,16,18).
What are the key properties of 2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 339.26 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 43714168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).