N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide

C19H24N2O3S — CID 94490347

IUPACN-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCC(C)(C)[C@H](NC(=O)CNC(=O)COc1ccccc1)c1cccs1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)18(15-10-7-11-25-15)21-16(22)12-20-17(23)13-24-14-8-5-4-6-9-14/h4-11,18H,12-13H2,1-3H3,(H,20,23)(H,21,22)/t18-/m1/s1
InChIKeyMZKJPZAVHSHAOA-GOSISDBHSA-N
MW360.48 g/mol
LogP3.15
Rot. Bonds7

About N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide

N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 94490347) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID94490347
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCC(C)(C)[C@H](NC(=O)CNC(=O)COc1ccccc1)c1cccs1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)18(15-10-7-11-25-15)21-16(22)12-20-17(23)13-24-14-8-5-4-6-9-14/h4-11,18H,12-13H2,1-3H3,(H,20,23)(H,21,22)/t18-/m1/s1
InChIKeyMZKJPZAVHSHAOA-GOSISDBHSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide with MolForge

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Related Compounds

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 87001099
[2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 94352559
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55865333
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 87022154
N-[(2S)-1,1-diphenylpropan-2-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38595856
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 78902741
N-(1-amino-2-methylpropan-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119523805
N-(2-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112997501
N-(1-cyclopropylethyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47117041
2-phenoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 34949998

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide (CID 94490347) is N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide is CC(C)(C)[C@H](NC(=O)CNC(=O)COc1ccccc1)c1cccs1.
What is the InChIKey of N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is MZKJPZAVHSHAOA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)18(15-10-7-11-25-15)21-16(22)12-20-17(23)13-24-14-8-5-4-6-9-14/h4-11,18H,12-13H2,1-3H3,(H,20,23)(H,21,22)/t18-/m1/s1.
What are the key properties of N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 94490347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).