2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C16H19NO3S — CID 71968834

IUPAC2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)COc1cccc(C(C)O)c1
InChIInChI=1S/C16H19NO3S/c1-11-6-7-21-15(11)9-17-16(19)10-20-14-5-3-4-13(8-14)12(2)18/h3-8,12,18H,9-10H2,1-2H3,(H,17,19)
InChIKeyDPEAOZILMMUALE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.81
Rot. Bonds6

About 2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 71968834) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID71968834
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)COc1cccc(C(C)O)c1
InChIInChI=1S/C16H19NO3S/c1-11-6-7-21-15(11)9-17-16(19)10-20-14-5-3-4-13(8-14)12(2)18/h3-8,12,18H,9-10H2,1-2H3,(H,17,19)
InChIKeyDPEAOZILMMUALE-UHFFFAOYSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-hydroxyethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 110884628
2-(4-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959031
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 55188631
N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63365692
2-[3-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78933475
2-(4-aminophenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78985015
2-(4-ethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959130
2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486589
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
N-carbamoyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78934402
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884621
N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884614

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 71968834) is 2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)COc1cccc(C(C)O)c1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is DPEAOZILMMUALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-6-7-21-15(11)9-17-16(19)10-20-14-5-3-4-13(8-14)12(2)18/h3-8,12,18H,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)phenoxy]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 71968834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).