2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide

C20H21NO3S — CID 90524106

IUPAC2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCC(O)c1cccs1
InChIInChI=1S/C20H21NO3S/c1-2-24-17-10-9-14-6-3-4-7-15(14)19(17)20(23)21-12-11-16(22)18-8-5-13-25-18/h3-10,13,16,22H,2,11-12H2,1H3,(H,21,23)
InChIKeyHJEDRPFNBUYUAM-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.15
Rot. Bonds7

About 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide

2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide (PubChem CID 90524106) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide
PubChem CID90524106
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCC(O)c1cccs1
InChIInChI=1S/C20H21NO3S/c1-2-24-17-10-9-14-6-3-4-7-15(14)19(17)20(23)21-12-11-16(22)18-8-5-13-25-18/h3-10,13,16,22H,2,11-12H2,1H3,(H,21,23)
InChIKeyHJEDRPFNBUYUAM-UHFFFAOYSA-N
XLogP4.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
CID 90499582
2-ethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]naphthalene-1-carboxamide
CID 16867643
2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
CID 9497344
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 90523997
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-naphthalen-2-yloxyacetamide
CID 90524092
2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 97414456
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337
2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 71787814
1-(3-hydroxy-3-thiophen-2-ylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 90524306
2-ethoxy-N-(2-propan-2-ylphenyl)naphthalene-1-carboxamide
CID 9497351

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide (CID 90524106) is 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCCC(O)c1cccs1.
What is the InChIKey of 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide?
The InChIKey is HJEDRPFNBUYUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-2-24-17-10-9-14-6-3-4-7-15(14)19(17)20(23)21-12-11-16(22)18-8-5-13-25-18/h3-10,13,16,22H,2,11-12H2,1H3,(H,21,23).
What are the key properties of 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide?
2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 90524106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).