5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide

C16H22ClN3OS — CID 13371095

IUPAC5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide
SMILESO=C(NCCCCCCCCn1ccnc1)c1ccc(Cl)s1
InChIInChI=1S/C16H22ClN3OS/c17-15-8-7-14(22-15)16(21)19-9-5-3-1-2-4-6-11-20-12-10-18-13-20/h7-8,10,12-13H,1-6,9,11H2,(H,19,21)
InChIKeyIOIXXOZNWDTART-UHFFFAOYSA-N
MW339.89 g/mol
LogP4.37
Rot. Bonds10

About 5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide

5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide (PubChem CID 13371095) has the molecular formula C16H22ClN3OS and a molecular weight of 339.89 g/mol. Its IUPAC name is 5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide
PubChem CID13371095
Molecular FormulaC16H22ClN3OS
Molecular Weight339.89 g/mol
Exact Mass339.12
IUPAC Name5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide
SMILESO=C(NCCCCCCCCn1ccnc1)c1ccc(Cl)s1
InChIInChI=1S/C16H22ClN3OS/c17-15-8-7-14(22-15)16(21)19-9-5-3-1-2-4-6-11-20-12-10-18-13-20/h7-8,10,12-13H,1-6,9,11H2,(H,19,21)
InChIKeyIOIXXOZNWDTART-UHFFFAOYSA-N
XLogP4.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[3-(1H-imidazol-1-yl)propyl]thiophene-2-carboxamide
CID 2970607
3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 3152639
Azole, 8
CID 53348138
4,5-dibromo-N-[3-(1H-imidazol-1-yl)propyl]thiophene-2-carboxamide
CID 4834145
5-Chloro-benzo[b]thiophene-2-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 13371082
5-Chloro-thiophene-2-carboxylic acid (4-imidazol-1-yl-butyl)-amide
CID 13371092
5-Chloro-thiophene-2-carboxylic acid (5-imidazol-1-yl-pentyl)-amide
CID 13371094
5-Chloro-thiophene-2-carboxylic acid (6-imidazol-1-yl-hexyl)-amide
CID 20435302
N-[3-(1H-imidazol-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 2970718
N-[3-(1H-imidazol-1-yl)propyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 2970793
4-bromo-5-ethyl-N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide
CID 2971029
N-[3-(1H-imidazol-1-yl)propyl]-5-methylthiophene-2-carboxamide
CID 13371091

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide (CID 13371095) is 5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide is O=C(NCCCCCCCCn1ccnc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide?
The InChIKey is IOIXXOZNWDTART-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3OS/c17-15-8-7-14(22-15)16(21)19-9-5-3-1-2-4-6-11-20-12-10-18-13-20/h7-8,10,12-13H,1-6,9,11H2,(H,19,21).
What are the key properties of 5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide?
5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide has a molecular weight of 339.89 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(8-imidazol-1-yloctyl)thiophene-2-carboxamide is sourced from PubChem (CID 13371095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).