3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide

C18H21NO4S — CID 60612363

IUPAC3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NOC1CCCCO1
InChIInChI=1S/C18H21NO4S/c1-2-21-14-12-15(13-8-4-3-5-9-13)24-17(14)18(20)19-23-16-10-6-7-11-22-16/h3-5,8-9,12,16H,2,6-7,10-11H2,1H3,(H,19,20)
InChIKeySSEHFZOYCRQPDU-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.00
Rot. Bonds6

About 3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide

3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide (PubChem CID 60612363) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide
PubChem CID60612363
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NOC1CCCCO1
InChIInChI=1S/C18H21NO4S/c1-2-21-14-12-15(13-8-4-3-5-9-13)24-17(14)18(20)19-23-16-10-6-7-11-22-16/h3-5,8-9,12,16H,2,6-7,10-11H2,1H3,(H,19,20)
InChIKeySSEHFZOYCRQPDU-UHFFFAOYSA-N
XLogP4.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
CID 119474680
N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide
CID 60613305
3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386060
N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 46494690
3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449775
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 119455398
3-ethoxy-N-(2-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120600484
3-ethoxy-N-[2-(furan-2-yl)ethyl]-5-phenylthiophene-2-carboxamide
CID 55792612
3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120557341
3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide
CID 55793294
3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide
CID 55796192
3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide
CID 51103131

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide (CID 60612363) is 3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide is CCOc1cc(-c2ccccc2)sc1C(=O)NOC1CCCCO1.
What is the InChIKey of 3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide?
The InChIKey is SSEHFZOYCRQPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-2-21-14-12-15(13-8-4-3-5-9-13)24-17(14)18(20)19-23-16-10-6-7-11-22-16/h3-5,8-9,12,16H,2,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of 3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide?
3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 60612363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).