N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide

C16H26N2OS — CID 66384800

IUPACN-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCCC1CCCC(C)C1
InChIInChI=1S/C16H26N2OS/c1-12-4-3-5-14(10-12)6-8-17-11-16-15(7-9-20-16)18-13(2)19/h7,9,12,14,17H,3-6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyYKHYLDRIXRQGBQ-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.01
Rot. Bonds6

About N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide

N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide (PubChem CID 66384800) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide
PubChem CID66384800
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCCC1CCCC(C)C1
InChIInChI=1S/C16H26N2OS/c1-12-4-3-5-14(10-12)6-8-17-11-16-15(7-9-20-16)18-13(2)19/h7,9,12,14,17H,3-6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyYKHYLDRIXRQGBQ-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[(cyclobutylamino)methyl]thiophen-3-yl]acetamide
CID 66387598
N-[2-[(2-cyclohexyloxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386410
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66387573
N-[2-[(thian-2-ylmethylamino)methyl]thiophen-3-yl]acetamide
CID 80595252
N-[2-[[(2-methoxycyclopentyl)amino]methyl]thiophen-3-yl]acetamide
CID 66385192
N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide
CID 66386018
N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide
CID 66386996

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide (CID 66384800) is N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCCC1CCCC(C)C1.
What is the InChIKey of N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide?
The InChIKey is YKHYLDRIXRQGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12-4-3-5-14(10-12)6-8-17-11-16-15(7-9-20-16)18-13(2)19/h7,9,12,14,17H,3-6,8,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide?
N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide has a molecular weight of 294.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-methylcyclohexyl)ethylamino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66384800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).