2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide

C15H17BrN2O2S — CID 60999483

IUPAC2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(NC(C)c2ccc(Br)s2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-10(13-6-7-14(16)21-13)18-11-4-3-5-12(8-11)20-9-15(19)17-2/h3-8,10,18H,9H2,1-2H3,(H,17,19)
InChIKeyPLMWLUZBDYCMTD-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.81
Rot. Bonds6

About 2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide

2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide (PubChem CID 60999483) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide
PubChem CID60999483
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(NC(C)c2ccc(Br)s2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-10(13-6-7-14(16)21-13)18-11-4-3-5-12(8-11)20-9-15(19)17-2/h3-8,10,18H,9H2,1-2H3,(H,17,19)
InChIKeyPLMWLUZBDYCMTD-UHFFFAOYSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[3-(1-pyridin-4-ylethylamino)phenoxy]acetamide
CID 43693413
N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
CID 43693352
2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide
CID 43693342
N-methyl-2-[3-(2-methylpentylamino)phenoxy]acetamide
CID 43693343
2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide
CID 115918854
2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide
CID 43693359
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 102832530
2-bromo-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]butanamide
CID 62855576
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 63449719
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60999470

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide (CID 60999483) is 2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide is CNC(=O)COc1cccc(NC(C)c2ccc(Br)s2)c1.
What is the InChIKey of 2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide?
The InChIKey is PLMWLUZBDYCMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-10(13-6-7-14(16)21-13)18-11-4-3-5-12(8-11)20-9-15(19)17-2/h3-8,10,18H,9H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide?
2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide has a molecular weight of 369.28 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide is sourced from PubChem (CID 60999483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).