N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide

C17H22N2OS — CID 66386592

IUPACN-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H22N2OS/c1-12(2)15-6-4-14(5-7-15)10-18-11-17-16(8-9-21-17)19-13(3)20/h4-9,12,18H,10-11H2,1-3H3,(H,19,20)
InChIKeyUEAZOFMTAIXEAZ-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.12
Rot. Bonds6

About N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide

N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide (PubChem CID 66386592) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
PubChem CID66386592
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H22N2OS/c1-12(2)15-6-4-14(5-7-15)10-18-11-17-16(8-9-21-17)19-13(3)20/h4-9,12,18H,10-11H2,1-3H3,(H,19,20)
InChIKeyUEAZOFMTAIXEAZ-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
CID 66386116
N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 66387407
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[[[(1R)-1-phenylethyl]amino]methyl]thiophen-3-yl]acetamide
CID 81350667
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 79254280
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385102
N-[2-[(4-hydroxypentan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 113376055
N-[2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 115359068
N-[2-[(1,2-oxazol-3-ylmethylamino)methyl]thiophen-3-yl]acetamide
CID 81169972

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide (CID 66386592) is N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCc1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide?
The InChIKey is UEAZOFMTAIXEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)15-6-4-14(5-7-15)10-18-11-17-16(8-9-21-17)19-13(3)20/h4-9,12,18H,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide?
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide has a molecular weight of 302.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66386592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).