N-(4-hexoxyphenyl)thiophene-2-carboxamide

C17H21NO2S — CID 3905653

IUPACN-(4-hexoxyphenyl)thiophene-2-carboxamide
SMILESCCCCCCOc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H21NO2S/c1-2-3-4-5-12-20-15-10-8-14(9-11-15)18-17(19)16-7-6-13-21-16/h6-11,13H,2-5,12H2,1H3,(H,18,19)
InChIKeySAAWMFJYVJJFQQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.96
Rot. Bonds8

About N-(4-hexoxyphenyl)thiophene-2-carboxamide

N-(4-hexoxyphenyl)thiophene-2-carboxamide (PubChem CID 3905653) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)thiophene-2-carboxamide
PubChem CID3905653
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(4-hexoxyphenyl)thiophene-2-carboxamide
SMILESCCCCCCOc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H21NO2S/c1-2-3-4-5-12-20-15-10-8-14(9-11-15)18-17(19)16-7-6-13-21-16/h6-11,13H,2-5,12H2,1H3,(H,18,19)
InChIKeySAAWMFJYVJJFQQ-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-hexoxyphenyl)thiophene-2-carboxamide (CID 3905653) is N-(4-hexoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-hexoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-hexoxyphenyl)thiophene-2-carboxamide is CCCCCCOc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)thiophene-2-carboxamide?
The InChIKey is SAAWMFJYVJJFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-2-3-4-5-12-20-15-10-8-14(9-11-15)18-17(19)16-7-6-13-21-16/h6-11,13H,2-5,12H2,1H3,(H,18,19).
What are the key properties of N-(4-hexoxyphenyl)thiophene-2-carboxamide?
N-(4-hexoxyphenyl)thiophene-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 3905653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).