N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide

C18H23NO2S2 — CID 91704679

IUPACN-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
SMILESCCCCCCCCN(C(=O)c1cccs1)C(=O)c1cccs1
InChIInChI=1S/C18H23NO2S2/c1-2-3-4-5-6-7-12-19(17(20)15-10-8-13-22-15)18(21)16-11-9-14-23-16/h8-11,13-14H,2-7,12H2,1H3
InChIKeyKRSXWWXGZFJEMF-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.45
Rot. Bonds9

About N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide

N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide (PubChem CID 91704679) has the molecular formula C18H23NO2S2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
PubChem CID91704679
Molecular FormulaC18H23NO2S2
Molecular Weight349.52 g/mol
Exact Mass349.12
IUPAC NameN-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
SMILESCCCCCCCCN(C(=O)c1cccs1)C(=O)c1cccs1
InChIInChI=1S/C18H23NO2S2/c1-2-3-4-5-6-7-12-19(17(20)15-10-8-13-22-15)18(21)16-11-9-14-23-16/h8-11,13-14H,2-7,12H2,1H3
InChIKeyKRSXWWXGZFJEMF-UHFFFAOYSA-N
XLogP5.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675
N-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886
N-butylthiophene-2-carbohydrazide
CID 54350563
2-methyl-3-[pentyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324480
2-hydroxy-3-[octyl(thiophene-2-carbonyl)amino]benzoic acid
CID 67784923
N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
CID 107202244
N,N-diethylthiophene-2-carboxamide
CID 962897
hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704818
decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704823
heptyl thiophene-2-carboxylate
CID 574115
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659

Frequently Asked Questions

What is the IUPAC name of N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
The IUPAC name of N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide (CID 91704679) is N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide.
What is the SMILES notation for N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
The canonical SMILES for N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide is CCCCCCCCN(C(=O)c1cccs1)C(=O)c1cccs1.
What is the InChIKey of N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
The InChIKey is KRSXWWXGZFJEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S2/c1-2-3-4-5-6-7-12-19(17(20)15-10-8-13-22-15)18(21)16-11-9-14-23-16/h8-11,13-14H,2-7,12H2,1H3.
What are the key properties of N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide is sourced from PubChem (CID 91704679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).