N-(1-thiophen-2-ylethylideneamino)dodecanamide

C18H30N2OS — CID 4295829

IUPACN-(1-thiophen-2-ylethylideneamino)dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=C(C)c1cccs1
InChIInChI=1S/C18H30N2OS/c1-3-4-5-6-7-8-9-10-11-14-18(21)20-19-16(2)17-13-12-15-22-17/h12-13,15H,3-11,14H2,1-2H3,(H,20,21)
InChIKeyYKQVDRDLNMURLV-UHFFFAOYSA-N
MW322.52 g/mol
LogP5.51
Rot. Bonds12

About N-(1-thiophen-2-ylethylideneamino)dodecanamide

N-(1-thiophen-2-ylethylideneamino)dodecanamide (PubChem CID 4295829) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethylideneamino)dodecanamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethylideneamino)dodecanamide
PubChem CID4295829
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC NameN-(1-thiophen-2-ylethylideneamino)dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=C(C)c1cccs1
InChIInChI=1S/C18H30N2OS/c1-3-4-5-6-7-8-9-10-11-14-18(21)20-19-16(2)17-13-12-15-22-17/h12-13,15H,3-11,14H2,1-2H3,(H,20,21)
InChIKeyYKQVDRDLNMURLV-UHFFFAOYSA-N
XLogP5.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-1-thiophen-2-ylethylideneamino]nonanamide
CID 6307256
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
N-[4-[(Z)-N-(decanoylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6381185
N-[4-[N-(heptanoylamino)-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 5059756
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide
CID 6299261
N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide
CID 4120530
N-[4-[C-methyl-N-(pentanoylamino)carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3258777
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-[(E)-1-(2-hydroxyphenyl)ethylideneamino]octanamide
CID 135458893

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethylideneamino)dodecanamide?
The IUPAC name of N-(1-thiophen-2-ylethylideneamino)dodecanamide (CID 4295829) is N-(1-thiophen-2-ylethylideneamino)dodecanamide.
What is the SMILES notation for N-(1-thiophen-2-ylethylideneamino)dodecanamide?
The canonical SMILES for N-(1-thiophen-2-ylethylideneamino)dodecanamide is CCCCCCCCCCCC(=O)NN=C(C)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethylideneamino)dodecanamide?
The InChIKey is YKQVDRDLNMURLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-3-4-5-6-7-8-9-10-11-14-18(21)20-19-16(2)17-13-12-15-22-17/h12-13,15H,3-11,14H2,1-2H3,(H,20,21).
What are the key properties of N-(1-thiophen-2-ylethylideneamino)dodecanamide?
N-(1-thiophen-2-ylethylideneamino)dodecanamide has a molecular weight of 322.52 g/mol, XLogP of 5.51, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethylideneamino)dodecanamide is sourced from PubChem (CID 4295829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).