N-ethyl-N-hexadecylthiophene-2-carboxamide

C23H41NOS — CID 91704886

IUPACN-ethyl-N-hexadecylthiophene-2-carboxamide
SMILESCCCCCCCCCCCCCCCCN(CC)C(=O)c1cccs1
InChIInChI=1S/C23H41NOS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(4-2)23(25)22-19-18-21-26-22/h18-19,21H,3-17,20H2,1-2H3
InChIKeyAOSSQHBVVIVYOB-UHFFFAOYSA-N
MW379.65 g/mol
LogP7.69
Rot. Bonds17

About N-ethyl-N-hexadecylthiophene-2-carboxamide

N-ethyl-N-hexadecylthiophene-2-carboxamide (PubChem CID 91704886) has the molecular formula C23H41NOS and a molecular weight of 379.65 g/mol. Its IUPAC name is N-ethyl-N-hexadecylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-hexadecylthiophene-2-carboxamide
PubChem CID91704886
Molecular FormulaC23H41NOS
Molecular Weight379.65 g/mol
Exact Mass379.29
IUPAC NameN-ethyl-N-hexadecylthiophene-2-carboxamide
SMILESCCCCCCCCCCCCCCCCN(CC)C(=O)c1cccs1
InChIInChI=1S/C23H41NOS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(4-2)23(25)22-19-18-21-26-22/h18-19,21H,3-17,20H2,1-2H3
InChIKeyAOSSQHBVVIVYOB-UHFFFAOYSA-N
XLogP7.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.65
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704679
N,N-diethylthiophene-2-carboxamide
CID 962897
CID 69259223
CID 69259223
2-methyl-3-[pentyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324480
N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide
CID 82103657
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
N-butylthiophene-2-carbohydrazide
CID 54350563
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylthiophene-2-carboxamide
CID 4248802
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675
2-hydroxy-3-[octyl(thiophene-2-carbonyl)amino]benzoic acid
CID 67784923

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-hexadecylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-hexadecylthiophene-2-carboxamide (CID 91704886) is N-ethyl-N-hexadecylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-hexadecylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-hexadecylthiophene-2-carboxamide is CCCCCCCCCCCCCCCCN(CC)C(=O)c1cccs1.
What is the InChIKey of N-ethyl-N-hexadecylthiophene-2-carboxamide?
The InChIKey is AOSSQHBVVIVYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NOS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(4-2)23(25)22-19-18-21-26-22/h18-19,21H,3-17,20H2,1-2H3.
What are the key properties of N-ethyl-N-hexadecylthiophene-2-carboxamide?
N-ethyl-N-hexadecylthiophene-2-carboxamide has a molecular weight of 379.65 g/mol, XLogP of 7.69, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hexadecylthiophene-2-carboxamide is sourced from PubChem (CID 91704886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).