2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide

C13H15N3O2S — CID 66386950

IUPAC2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NCc2sccc2N)c1
InChIInChI=1S/C13H15N3O2S/c14-11-4-5-19-12(11)7-16-9-2-1-3-10(6-9)18-8-13(15)17/h1-6,16H,7-8,14H2,(H2,15,17)
InChIKeyWJMDRUYUJPNRJD-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.81
Rot. Bonds6

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

2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide (PubChem CID 66386950) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
PubChem CID66386950
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NCc2sccc2N)c1
InChIInChI=1S/C13H15N3O2S/c14-11-4-5-19-12(11)7-16-9-2-1-3-10(6-9)18-8-13(15)17/h1-6,16H,7-8,14H2,(H2,15,17)
InChIKeyWJMDRUYUJPNRJD-UHFFFAOYSA-N
XLogP1.81
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191
2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720284
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004
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
2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720144
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide
CID 102832988
N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide
CID 46529043
2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide
CID 103866111

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide (CID 66386950) is 2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide is NC(=O)COc1cccc(NCc2sccc2N)c1.
What is the InChIKey of 2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide?
The InChIKey is WJMDRUYUJPNRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-11-4-5-19-12(11)7-16-9-2-1-3-10(6-9)18-8-13(15)17/h1-6,16H,7-8,14H2,(H2,15,17).
What are the key properties of 2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide?
2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 66386950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).