N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide

C14H24N2OS — CID 66385102

IUPACN-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC(C)CCC(C)C
InChIInChI=1S/C14H24N2OS/c1-10(2)5-6-11(3)15-9-14-13(7-8-18-14)16-12(4)17/h7-8,10-11,15H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyPHZUXPVAJQKJIN-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.62
Rot. Bonds7

About N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 66385102) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide
PubChem CID66385102
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNC(C)CCC(C)C
InChIInChI=1S/C14H24N2OS/c1-10(2)5-6-11(3)15-9-14-13(7-8-18-14)16-12(4)17/h7-8,10-11,15H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyPHZUXPVAJQKJIN-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 113376055
N-[2-[(1-methylsulfonylpropan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66387613
N-[2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 79254280
N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide
CID 81350667
N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385318
N-[2-[(1-pyridin-4-ylethylamino)methyl]thiophen-3-yl]acetamide
CID 66387309
N-[2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106159011
N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine
CID 115710390
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
CID 66386114
N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592
N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 66387407

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide (CID 66385102) is N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNC(C)CCC(C)C.
What is the InChIKey of N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is PHZUXPVAJQKJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)5-6-11(3)15-9-14-13(7-8-18-14)16-12(4)17/h7-8,10-11,15H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 268.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66385102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).