N-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide

C16H20N2O2S2 — CID 3094072

IUPACN-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1cccs1)c1cccs1
InChIInChI=1S/C16H20N2O2S2/c19-15(13-7-5-11-21-13)17-9-3-1-2-4-10-18-16(20)14-8-6-12-22-14/h5-8,11-12H,1-4,9-10H2,(H,17,19)(H,18,20)
InChIKeyWZZAXJCOSJJLJJ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.53
Rot. Bonds9

About N-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide

N-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide (PubChem CID 3094072) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide
PubChem CID3094072
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1cccs1)c1cccs1
InChIInChI=1S/C16H20N2O2S2/c19-15(13-7-5-11-21-13)17-9-3-1-2-4-10-18-16(20)14-8-6-12-22-14/h5-8,11-12H,1-4,9-10H2,(H,17,19)(H,18,20)
InChIKeyWZZAXJCOSJJLJJ-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide (CID 3094072) is N-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide is O=C(NCCCCCCNC(=O)c1cccs1)c1cccs1.
What is the InChIKey of N-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide?
The InChIKey is WZZAXJCOSJJLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c19-15(13-7-5-11-21-13)17-9-3-1-2-4-10-18-16(20)14-8-6-12-22-14/h5-8,11-12H,1-4,9-10H2,(H,17,19)(H,18,20).
What are the key properties of N-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide?
N-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(thiophene-2-carbonylamino)hexyl]thiophene-2-carboxamide is sourced from PubChem (CID 3094072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).