5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide

C18H28N2O2S — CID 142434353

IUPAC5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCCCCCCCCCCCCO)s1
InChIInChI=1S/C18H28N2O2S/c19-15-16-11-12-17(23-16)18(22)20-13-9-7-5-3-1-2-4-6-8-10-14-21/h11-12,21H,1-10,13-14H2,(H,20,22)
InChIKeyBUKBSNYGSATIHL-UHFFFAOYSA-N
MW336.50 g/mol
LogP4.24
Rot. Bonds13

About 5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide

5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide (PubChem CID 142434353) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide
PubChem CID142434353
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCCCCCCCCCCCCO)s1
InChIInChI=1S/C18H28N2O2S/c19-15-16-11-12-17(23-16)18(22)20-13-9-7-5-3-1-2-4-6-8-10-14-21/h11-12,21H,1-10,13-14H2,(H,20,22)
InChIKeyBUKBSNYGSATIHL-UHFFFAOYSA-N
XLogP4.24
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 54.24
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

5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide
CID 103919192
5-cyanothiophene-2-carbohydrazide
CID 141367085
(3R)-N-[5-[(5-cyanothiophene-2-carbonyl)amino]pentyl]-5-oxothiomorpholine-3-carboxamide
CID 166374879
2-[[2-[[2-[(5-cyanothiophene-2-carbonyl)amino]acetyl]amino]acetyl]amino]acetyl iodide
CID 153107757
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434
5-cyano-N-[2-oxo-2-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]ethyl]thiophene-2-carboxamide
CID 146331549
N-[3-(diethylamino)propyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075095
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]thiophene-2-carboxamide
CID 106342057
5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107843229
5-fluoro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919162
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide?
The IUPAC name of 5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide (CID 142434353) is 5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide?
The canonical SMILES for 5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide is N#Cc1ccc(C(=O)NCCCCCCCCCCCCO)s1.
What is the InChIKey of 5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide?
The InChIKey is BUKBSNYGSATIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c19-15-16-11-12-17(23-16)18(22)20-13-9-7-5-3-1-2-4-6-8-10-14-21/h11-12,21H,1-10,13-14H2,(H,20,22).
What are the key properties of 5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide?
5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide has a molecular weight of 336.50 g/mol, XLogP of 4.24, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(12-hydroxydodecyl)thiophene-2-carboxamide is sourced from PubChem (CID 142434353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).