N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide

C15H17BrN2OS — CID 43692092

IUPACN-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1NCc1ccc(Br)s1
InChIInChI=1S/C15H17BrN2OS/c1-11(19)18(2)10-12-5-3-4-6-14(12)17-9-13-7-8-15(16)20-13/h3-8,17H,9-10H2,1-2H3
InChIKeyAISDTVRCFDVGCL-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.10
Rot. Bonds5

About N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide

N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide (PubChem CID 43692092) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
PubChem CID43692092
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1NCc1ccc(Br)s1
InChIInChI=1S/C15H17BrN2OS/c1-11(19)18(2)10-12-5-3-4-6-14(12)17-9-13-7-8-15(16)20-13/h3-8,17H,9-10H2,1-2H3
InChIKeyAISDTVRCFDVGCL-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(5-bromothiophen-2-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726526
N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide
CID 66409381
N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692106
N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide
CID 116500960
N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide
CID 166358700
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290
5-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 61077053
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
CID 65464216
5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol
CID 43742993
tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
CID 103818744
2-[[(5-bromothiophen-2-yl)methylamino]methyl]benzamide
CID 54900646
2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62344823

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide (CID 43692092) is N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccccc1NCc1ccc(Br)s1.
What is the InChIKey of N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide?
The InChIKey is AISDTVRCFDVGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-11(19)18(2)10-12-5-3-4-6-14(12)17-9-13-7-8-15(16)20-13/h3-8,17H,9-10H2,1-2H3.
What are the key properties of N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide?
N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide has a molecular weight of 353.29 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 43692092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).