2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide

C13H13ClN2O2S — CID 43720144

IUPAC2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NCc2ccc(Cl)s2)c1
InChIInChI=1S/C13H13ClN2O2S/c14-12-5-4-11(19-12)7-16-9-2-1-3-10(6-9)18-8-13(15)17/h1-6,16H,7-8H2,(H2,15,17)
InChIKeyFJCZGFIJIAIJGU-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.88
Rot. Bonds6

About 2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide

2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide (PubChem CID 43720144) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide
PubChem CID43720144
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NCc2ccc(Cl)s2)c1
InChIInChI=1S/C13H13ClN2O2S/c14-12-5-4-11(19-12)7-16-9-2-1-3-10(6-9)18-8-13(15)17/h1-6,16H,7-8H2,(H2,15,17)
InChIKeyFJCZGFIJIAIJGU-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 54864777
2-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191
2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720284
2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide
CID 102832988
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004
2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
CID 66386950
2-[3-[(2-ethylphenyl)methylamino]phenoxy]acetamide
CID 62391235
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide
CID 61317866
N-[2-chloro-5-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-phenoxyacetamide
CID 91594189
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625856
2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62345183

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide (CID 43720144) is 2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide is NC(=O)COc1cccc(NCc2ccc(Cl)s2)c1.
What is the InChIKey of 2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide?
The InChIKey is FJCZGFIJIAIJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-12-5-4-11(19-12)7-16-9-2-1-3-10(6-9)18-8-13(15)17/h1-6,16H,7-8H2,(H2,15,17).
What are the key properties of 2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide?
2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide has a molecular weight of 296.78 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 43720144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).