N-heptyl-N-octylthiophene-2-carboxamide

C20H35NOS — CID 532904

IUPACN-heptyl-N-octylthiophene-2-carboxamide
SMILESCCCCCCCCN(CCCCCCC)C(=O)c1cccs1
InChIInChI=1S/C20H35NOS/c1-3-5-7-9-11-13-17-21(16-12-10-8-6-4-2)20(22)19-15-14-18-23-19/h14-15,18H,3-13,16-17H2,1-2H3
InChIKeyABFSXUFWBJAOHJ-UHFFFAOYSA-N
MW337.57 g/mol
LogP6.52
Rot. Bonds14

About N-heptyl-N-octylthiophene-2-carboxamide

N-heptyl-N-octylthiophene-2-carboxamide (PubChem CID 532904) has the molecular formula C20H35NOS and a molecular weight of 337.57 g/mol. Its IUPAC name is N-heptyl-N-octylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-heptyl-N-octylthiophene-2-carboxamide
PubChem CID532904
Molecular FormulaC20H35NOS
Molecular Weight337.57 g/mol
Exact Mass337.24
IUPAC NameN-heptyl-N-octylthiophene-2-carboxamide
SMILESCCCCCCCCN(CCCCCCC)C(=O)c1cccs1
InChIInChI=1S/C20H35NOS/c1-3-5-7-9-11-13-17-21(16-12-10-8-6-4-2)20(22)19-15-14-18-23-19/h14-15,18H,3-13,16-17H2,1-2H3
InChIKeyABFSXUFWBJAOHJ-UHFFFAOYSA-N
XLogP6.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.57
LogP ≤ 56.52
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-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886
N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704679
2-methyl-3-[pentyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324480
N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide
CID 82103657
N,N-diethylthiophene-2-carboxamide
CID 962897
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
CID 69259223
CID 69259223
N-butylthiophene-2-carbohydrazide
CID 54350563
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
N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
CID 107202244

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N-octylthiophene-2-carboxamide?
The IUPAC name of N-heptyl-N-octylthiophene-2-carboxamide (CID 532904) is N-heptyl-N-octylthiophene-2-carboxamide.
What is the SMILES notation for N-heptyl-N-octylthiophene-2-carboxamide?
The canonical SMILES for N-heptyl-N-octylthiophene-2-carboxamide is CCCCCCCCN(CCCCCCC)C(=O)c1cccs1.
What is the InChIKey of N-heptyl-N-octylthiophene-2-carboxamide?
The InChIKey is ABFSXUFWBJAOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NOS/c1-3-5-7-9-11-13-17-21(16-12-10-8-6-4-2)20(22)19-15-14-18-23-19/h14-15,18H,3-13,16-17H2,1-2H3.
What are the key properties of N-heptyl-N-octylthiophene-2-carboxamide?
N-heptyl-N-octylthiophene-2-carboxamide has a molecular weight of 337.57 g/mol, XLogP of 6.52, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-octylthiophene-2-carboxamide is sourced from PubChem (CID 532904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).