2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide

C16H19NO3S — CID 99882756

IUPAC2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
SMILESCCOCC(=O)NCc1ccc([C@H](O)c2ccccc2)s1
InChIInChI=1S/C16H19NO3S/c1-2-20-11-15(18)17-10-13-8-9-14(21-13)16(19)12-6-4-3-5-7-12/h3-9,16,19H,2,10-11H2,1H3,(H,17,18)/t16-/m1/s1
InChIKeyOWNLJYHQBOJJKL-MRXNPFEDSA-N
MW305.40 g/mol
LogP2.48
Rot. Bonds7

About 2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide

2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide (PubChem CID 99882756) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
PubChem CID99882756
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
SMILESCCOCC(=O)NCc1ccc([C@H](O)c2ccccc2)s1
InChIInChI=1S/C16H19NO3S/c1-2-20-11-15(18)17-10-13-8-9-14(21-13)16(19)12-6-4-3-5-7-12/h3-9,16,19H,2,10-11H2,1H3,(H,17,18)/t16-/m1/s1
InChIKeyOWNLJYHQBOJJKL-MRXNPFEDSA-N
XLogP2.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol
CID 2809735
2-[(5-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6461664
2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6473033
JUA-UNI-bc099708-1
CID 154706316
2-{[(3-Methyl-2-thienyl)methyl]amino}-1-phenylethanol
CID 4722461
N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)oxalamide
CID 56764063
N-({5-[(R)-hydroxyphenylmethyl]-2-thienyl}methyl)(p-fluorophenyl)acetamide
CID 99882769
2-(benzylthio)-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)acetamide
CID 71781684
N1-(3-hydroxy-3-(thiophen-2-yl)propyl)-N2-(1-phenylethyl)oxalamide
CID 71787874
1-(2-Hydroxy-2-(4-(methylthio)phenyl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 71803910
N-((5-(hydroxy(thiophen-3-yl)methyl)thiophen-2-yl)methyl)cyclohex-3-enecarboxamide
CID 73167874

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide (CID 99882756) is 2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide is CCOCC(=O)NCc1ccc([C@H](O)c2ccccc2)s1.
What is the InChIKey of 2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is OWNLJYHQBOJJKL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-20-11-15(18)17-10-13-8-9-14(21-13)16(19)12-6-4-3-5-7-12/h3-9,16,19H,2,10-11H2,1H3,(H,17,18)/t16-/m1/s1.
What are the key properties of 2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide?
2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[5-[(R)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 99882756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).