N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide

C25H38N2O2S — CID 87769634

IUPACN-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(CN(O)Cc2cccs2)cc1
InChIInChI=1S/C25H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-18-26-25(28)23-16-14-22(15-17-23)20-27(29)21-24-13-12-19-30-24/h12-17,19,29H,2-11,18,20-21H2,1H3,(H,26,28)
InChIKeyRUTWUDJSCWRJSY-UHFFFAOYSA-N
MW430.66 g/mol
LogP6.79
Rot. Bonds16

About N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide

N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide (PubChem CID 87769634) has the molecular formula C25H38N2O2S and a molecular weight of 430.66 g/mol. Its IUPAC name is N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide
PubChem CID87769634
Molecular FormulaC25H38N2O2S
Molecular Weight430.66 g/mol
Exact Mass430.27
IUPAC NameN-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(CN(O)Cc2cccs2)cc1
InChIInChI=1S/C25H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-18-26-25(28)23-16-14-22(15-17-23)20-27(29)21-24-13-12-19-30-24/h12-17,19,29H,2-11,18,20-21H2,1H3,(H,26,28)
InChIKeyRUTWUDJSCWRJSY-UHFFFAOYSA-N
XLogP6.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.66
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
N-butyl-4-[[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methyl]benzamide
CID 111349462
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
N-pentyl-4-propylbenzamide
CID 70894308
2-[[4-(dimethylamino)phenyl]methyl-[[4-(dodecylcarbamoyl)phenyl]methyl]amino]-2-oxoacetic acid
CID 11318426
N-octyl-4-(thiophen-2-ylmethylideneamino)benzamide
CID 611917
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide (CID 87769634) is N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide is CCCCCCCCCCCCNC(=O)c1ccc(CN(O)Cc2cccs2)cc1.
What is the InChIKey of N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is RUTWUDJSCWRJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2S/c1-2-3-4-5-6-7-8-9-10-11-18-26-25(28)23-16-14-22(15-17-23)20-27(29)21-24-13-12-19-30-24/h12-17,19,29H,2-11,18,20-21H2,1H3,(H,26,28).
What are the key properties of N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide?
N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 430.66 g/mol, XLogP of 6.79, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-4-[[hydroxy(thiophen-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 87769634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).