2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide

C17H19NO2S — CID 146078652

IUPAC2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide
SMILESO=C(COCc1ccccc1)NCC1(c2ccsc2)CC1
InChIInChI=1S/C17H19NO2S/c19-16(11-20-10-14-4-2-1-3-5-14)18-13-17(7-8-17)15-6-9-21-12-15/h1-6,9,12H,7-8,10-11,13H2,(H,18,19)
InChIKeyRFXWPHLXSYLGAV-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.11
Rot. Bonds7

About 2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide

2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide (PubChem CID 146078652) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide
PubChem CID146078652
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide
SMILESO=C(COCc1ccccc1)NCC1(c2ccsc2)CC1
InChIInChI=1S/C17H19NO2S/c19-16(11-20-10-14-4-2-1-3-5-14)18-13-17(7-8-17)15-6-9-21-12-15/h1-6,9,12H,7-8,10-11,13H2,(H,18,19)
InChIKeyRFXWPHLXSYLGAV-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea
CID 146078739
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
CID 80711828
2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide
CID 146078875
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 4-(thiophene-3-carbonylamino)butanoate
CID 55541537
N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide
CID 134161639
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide
CID 146079134
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]-2-phenylacetamide
CID 42145846
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide
CID 146078017
2-(2-phenoxyethoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 55759227

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide (CID 146078652) is 2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide is O=C(COCc1ccccc1)NCC1(c2ccsc2)CC1.
What is the InChIKey of 2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide?
The InChIKey is RFXWPHLXSYLGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-16(11-20-10-14-4-2-1-3-5-14)18-13-17(7-8-17)15-6-9-21-12-15/h1-6,9,12H,7-8,10-11,13H2,(H,18,19).
What are the key properties of 2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide?
2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 146078652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).