N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide

C19H24N4O2S2 — CID 19685885

IUPACN,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
SMILESC/C(=N\NC(=O)CCCCCC(=O)N/N=C(\C)c1cccs1)c1cccs1
InChIInChI=1S/C19H24N4O2S2/c1-14(16-8-6-12-26-16)20-22-18(24)10-4-3-5-11-19(25)23-21-15(2)17-9-7-13-27-17/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)(H,23,25)/b20-14+,21-15+
InChIKeyOBGCZCHKJSSIBJ-OZNQKUEASA-N
MW404.56 g/mol
LogP4.14
Rot. Bonds10

About N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide

N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide (PubChem CID 19685885) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
PubChem CID19685885
Molecular FormulaC19H24N4O2S2
Molecular Weight404.56 g/mol
Exact Mass404.13
IUPAC NameN,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
SMILESC/C(=N\NC(=O)CCCCCC(=O)N/N=C(\C)c1cccs1)c1cccs1
InChIInChI=1S/C19H24N4O2S2/c1-14(16-8-6-12-26-16)20-22-18(24)10-4-3-5-11-19(25)23-21-15(2)17-9-7-13-27-17/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)(H,23,25)/b20-14+,21-15+
InChIKeyOBGCZCHKJSSIBJ-OZNQKUEASA-N
XLogP4.14
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-thiophen-2-ylethylideneamino)octanamide
CID 2841814
N-(1-thiophen-2-ylethylideneamino)dodecanamide
CID 4295829
N-[(E)-1-thiophen-2-ylethylideneamino]nonanamide
CID 6307256
N',N'-diphenyl-N-(1-thiophen-2-ylethylideneamino)butanediamide
CID 3886917
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 3828723
N-[4-[N-(heptanoylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 5059756
N-[4-[(Z)-N-(decanoylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6381185
2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126263054
methyl 6-[[(Z)-1-thiophen-2-ylethylideneamino]carbamothioylamino]hexanoate
CID 9350379
N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3258777
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide?
The IUPAC name of N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide (CID 19685885) is N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide.
What is the SMILES notation for N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide?
The canonical SMILES for N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide is C/C(=N\NC(=O)CCCCCC(=O)N/N=C(\C)c1cccs1)c1cccs1.
What is the InChIKey of N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide?
The InChIKey is OBGCZCHKJSSIBJ-OZNQKUEASA-N. The full InChI is InChI=1S/C19H24N4O2S2/c1-14(16-8-6-12-26-16)20-22-18(24)10-4-3-5-11-19(25)23-21-15(2)17-9-7-13-27-17/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)(H,23,25)/b20-14+,21-15+.
What are the key properties of N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide?
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide has a molecular weight of 404.56 g/mol, XLogP of 4.14, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide is sourced from PubChem (CID 19685885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).