2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide

C16H20N2OS — CID 115287113

IUPAC2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCC(C)c1ccc(CNC(=O)C(N)c2cccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-11(2)13-7-5-12(6-8-13)10-18-16(19)15(17)14-4-3-9-20-14/h3-9,11,15H,10,17H2,1-2H3,(H,18,19)
InChIKeyMPXYKCMQDXLBSB-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.19
Rot. Bonds5

About 2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide

2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 115287113) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID115287113
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCC(C)c1ccc(CNC(=O)C(N)c2cccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-11(2)13-7-5-12(6-8-13)10-18-16(19)15(17)14-4-3-9-20-14/h3-9,11,15H,10,17H2,1-2H3,(H,18,19)
InChIKeyMPXYKCMQDXLBSB-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide
CID 115287220
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
2-amino-N-(2-methylbutyl)-2-thiophen-2-ylacetamide
CID 115287191
2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide
CID 115287214
2-amino-N-(2-methoxypropyl)-2-thiophen-2-ylacetamide
CID 102695079
2-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 115285808
2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287032
2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 114186154
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508
4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 113279358

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide (CID 115287113) is 2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide is CC(C)c1ccc(CNC(=O)C(N)c2cccs2)cc1.
What is the InChIKey of 2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is MPXYKCMQDXLBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)13-7-5-12(6-8-13)10-18-16(19)15(17)14-4-3-9-20-14/h3-9,11,15H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide?
2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 288.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115287113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).