N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide

C19H23NO4S — CID 90497058

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)NCC(O)(c2cccs2)C2CC2)cc1
InChIInChI=1S/C19H23NO4S/c1-2-23-15-7-9-16(10-8-15)24-12-18(21)20-13-19(22,14-5-6-14)17-4-3-11-25-17/h3-4,7-11,14,22H,2,5-6,12-13H2,1H3,(H,20,21)
InChIKeySIOYQTLUWNGVFW-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.94
Rot. Bonds9

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide (PubChem CID 90497058) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide
PubChem CID90497058
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)NCC(O)(c2cccs2)C2CC2)cc1
InChIInChI=1S/C19H23NO4S/c1-2-23-15-7-9-16(10-8-15)24-12-18(21)20-13-19(22,14-5-6-14)17-4-3-11-25-17/h3-4,7-11,14,22H,2,5-6,12-13H2,1H3,(H,20,21)
InChIKeySIOYQTLUWNGVFW-UHFFFAOYSA-N
XLogP2.94
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-methylphenoxy)acetamide
CID 90497022
4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90497055
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide
CID 90499308
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide
CID 71781709
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide
CID 90497139
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 95982777
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71781727
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 90496987
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide
CID 90497186
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111442137

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide (CID 90497058) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)NCC(O)(c2cccs2)C2CC2)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is SIOYQTLUWNGVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-2-23-15-7-9-16(10-8-15)24-12-18(21)20-13-19(22,14-5-6-14)17-4-3-11-25-17/h3-4,7-11,14,22H,2,5-6,12-13H2,1H3,(H,20,21).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 361.46 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 90497058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).