N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide

C16H23NO4S — CID 134161639

IUPACN-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC1(OCCO)CCSC1
InChIInChI=1S/C16H23NO4S/c18-7-8-21-16(6-9-22-13-16)12-17-15(19)11-20-10-14-4-2-1-3-5-14/h1-5,18H,6-13H2,(H,17,19)
InChIKeyHVZAMUOTHDTFBB-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.20
Rot. Bonds9

About N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide

N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide (PubChem CID 134161639) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide
PubChem CID134161639
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC NameN-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCC1(OCCO)CCSC1
InChIInChI=1S/C16H23NO4S/c18-7-8-21-16(6-9-22-13-16)12-17-15(19)11-20-10-14-4-2-1-3-5-14/h1-5,18H,6-13H2,(H,17,19)
InChIKeyHVZAMUOTHDTFBB-UHFFFAOYSA-N
XLogP1.20
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
CID 80711828
N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]-3-phenylprop-2-enamide
CID 171136928
2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide
CID 146078652
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326
N-[(3R)-3-cyanothiolan-3-yl]-2-(2-phenylethoxy)acetamide
CID 97015415
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
CID 66177316
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 66174585
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
N-butyl-2-phenylmethoxyacetamide
CID 126717674
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide (CID 134161639) is N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)NCC1(OCCO)CCSC1.
What is the InChIKey of N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide?
The InChIKey is HVZAMUOTHDTFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c18-7-8-21-16(6-9-22-13-16)12-17-15(19)11-20-10-14-4-2-1-3-5-14/h1-5,18H,6-13H2,(H,17,19).
What are the key properties of N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide?
N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide has a molecular weight of 325.43 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-hydroxyethoxy)thiolan-3-yl]methyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 134161639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).