N,N'-bis(thiophen-2-ylmethyl)hexanediamide

C16H20N2O2S2 — CID 2165960

IUPACN,N'-bis(thiophen-2-ylmethyl)hexanediamide
SMILESO=C(CCCCC(=O)NCc1cccs1)NCc1cccs1
InChIInChI=1S/C16H20N2O2S2/c19-15(17-11-13-5-3-9-21-13)7-1-2-8-16(20)18-12-14-6-4-10-22-14/h3-6,9-10H,1-2,7-8,11-12H2,(H,17,19)(H,18,20)
InChIKeyWITARZMLTWSUII-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.30
Rot. Bonds9

About N,N'-bis(thiophen-2-ylmethyl)hexanediamide

N,N'-bis(thiophen-2-ylmethyl)hexanediamide (PubChem CID 2165960) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N,N'-bis(thiophen-2-ylmethyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(thiophen-2-ylmethyl)hexanediamide
PubChem CID2165960
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN,N'-bis(thiophen-2-ylmethyl)hexanediamide
SMILESO=C(CCCCC(=O)NCc1cccs1)NCc1cccs1
InChIInChI=1S/C16H20N2O2S2/c19-15(17-11-13-5-3-9-21-13)7-1-2-8-16(20)18-12-14-6-4-10-22-14/h3-6,9-10H,1-2,7-8,11-12H2,(H,17,19)(H,18,20)
InChIKeyWITARZMLTWSUII-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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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Related Compounds

N-[(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 2453059
5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 3573521
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
N-(thien-2-ylmethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 3237775
N-[2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 710249
3,3-dimethyl-N-(2-thienylmethyl)butanamide
CID 1246126
3-cyclopentyl-N-(2-thienylmethyl)propanamide
CID 845104
N1,N2-Bis(thiophen-2-ylmethyl)oxalamide
CID 6421749
5-Methyl-thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl-thiophen-2-ylmethyl-amide
CID 649773
5-ethyl-N-(2-thienylmethyl)-2-thiophenecarboxamide
CID 1245502
N-{3-[(2-thienylcarbonyl)amino]propyl}-2-thiophenecarboxamide
CID 1788010
N-[2,2-dimethyl-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]-2-thiophenecarboxamide
CID 2171062

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(thiophen-2-ylmethyl)hexanediamide?
The IUPAC name of N,N'-bis(thiophen-2-ylmethyl)hexanediamide (CID 2165960) is N,N'-bis(thiophen-2-ylmethyl)hexanediamide.
What is the SMILES notation for N,N'-bis(thiophen-2-ylmethyl)hexanediamide?
The canonical SMILES for N,N'-bis(thiophen-2-ylmethyl)hexanediamide is O=C(CCCCC(=O)NCc1cccs1)NCc1cccs1.
What is the InChIKey of N,N'-bis(thiophen-2-ylmethyl)hexanediamide?
The InChIKey is WITARZMLTWSUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c19-15(17-11-13-5-3-9-21-13)7-1-2-8-16(20)18-12-14-6-4-10-22-14/h3-6,9-10H,1-2,7-8,11-12H2,(H,17,19)(H,18,20).
What are the key properties of N,N'-bis(thiophen-2-ylmethyl)hexanediamide?
N,N'-bis(thiophen-2-ylmethyl)hexanediamide has a molecular weight of 336.48 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(thiophen-2-ylmethyl)hexanediamide is sourced from PubChem (CID 2165960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).