N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide

C20H26N2OS — CID 611917

IUPACN-octyl-4-(thiophen-2-ylmethylideneamino)benzamide
SMILESCCCCCCCCNC(=O)c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C20H26N2OS/c1-2-3-4-5-6-7-14-21-20(23)17-10-12-18(13-11-17)22-16-19-9-8-15-24-19/h8-13,15-16H,2-7,14H2,1H3,(H,21,23)/b22-16+
InChIKeyNUELYYJPDRAQEF-CJLVFECKSA-N
MW342.51 g/mol
LogP5.59
Rot. Bonds10

About N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide

N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide (PubChem CID 611917) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound NameN-octyl-4-(thiophen-2-ylmethylideneamino)benzamide
PubChem CID611917
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-octyl-4-(thiophen-2-ylmethylideneamino)benzamide
SMILESCCCCCCCCNC(=O)c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C20H26N2OS/c1-2-3-4-5-6-7-14-21-20(23)17-10-12-18(13-11-17)22-16-19-9-8-15-24-19/h8-13,15-16H,2-7,14H2,1H3,(H,21,23)/b22-16+
InChIKeyNUELYYJPDRAQEF-CJLVFECKSA-N
XLogP5.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 55.59
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'}

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Related Compounds

N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356
N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide
CID 141482420
N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 87769634
CID 131885807
CID 131885807
N-decyl-4-hydroxybenzamide
CID 15277871
4-formyl-N-octylbenzamide
CID 59691779
4-formyl-N-tricosylbenzamide
CID 166066746
N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide
CID 126959756
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-decyl-4-sulfanylbenzamide
CID 107032455
N-hexylpyridine-4-carboxamide
CID 3423732
4-bromo-N-hexadecylbenzamide
CID 54791037

Frequently Asked Questions

What is the IUPAC name of N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide?
The IUPAC name of N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide (CID 611917) is N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide.
What is the SMILES notation for N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide?
The canonical SMILES for N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide is CCCCCCCCNC(=O)c1ccc(/N=C/c2cccs2)cc1.
What is the InChIKey of N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide?
The InChIKey is NUELYYJPDRAQEF-CJLVFECKSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-2-3-4-5-6-7-14-21-20(23)17-10-12-18(13-11-17)22-16-19-9-8-15-24-19/h8-13,15-16H,2-7,14H2,1H3,(H,21,23)/b22-16+.
What are the key properties of N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide?
N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide has a molecular weight of 342.51 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 611917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).