2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide

C16H20N2OS — CID 18197678

IUPAC2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)Cc1ccsc1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-13(15-6-4-3-5-7-15)17-16(19)11-18(2)10-14-8-9-20-12-14/h3-9,12-13H,10-11H2,1-2H3,(H,17,19)
InChIKeyVFIVFHLHLMDACU-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.06
Rot. Bonds6

About 2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide

2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide (PubChem CID 18197678) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
PubChem CID18197678
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)Cc1ccsc1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-13(15-6-4-3-5-7-15)17-16(19)11-18(2)10-14-8-9-20-12-14/h3-9,12-13H,10-11H2,1-2H3,(H,17,19)
InChIKeyVFIVFHLHLMDACU-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-[1-(3,4-dimethylphenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 46671982
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054925
2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9054777
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 9294268
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
CID 62053360
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9168111
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide (CID 18197678) is 2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(C)Cc1ccsc1)c1ccccc1.
What is the InChIKey of 2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
The InChIKey is VFIVFHLHLMDACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13(15-6-4-3-5-7-15)17-16(19)11-18(2)10-14-8-9-20-12-14/h3-9,12-13H,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide has a molecular weight of 288.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 18197678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).