2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide

C19H24N2O2S — CID 3440250

IUPAC2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(NC(=O)COc1ccccc1)C(c1cccs1)N1CCCC1
InChIInChI=1S/C19H24N2O2S/c1-15(20-18(22)14-23-16-8-3-2-4-9-16)19(17-10-7-13-24-17)21-11-5-6-12-21/h2-4,7-10,13,15,19H,5-6,11-12,14H2,1H3,(H,20,22)
InChIKeyQRMDAWBMDGDMBD-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.47
Rot. Bonds7

About 2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide

2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide (PubChem CID 3440250) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide
PubChem CID3440250
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(NC(=O)COc1ccccc1)C(c1cccs1)N1CCCC1
InChIInChI=1S/C19H24N2O2S/c1-15(20-18(22)14-23-16-8-3-2-4-9-16)19(17-10-7-13-24-17)21-11-5-6-12-21/h2-4,7-10,13,15,19H,5-6,11-12,14H2,1H3,(H,20,22)
InChIKeyQRMDAWBMDGDMBD-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide?
The IUPAC name of 2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide (CID 3440250) is 2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide is CC(NC(=O)COc1ccccc1)C(c1cccs1)N1CCCC1.
What is the InChIKey of 2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide?
The InChIKey is QRMDAWBMDGDMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15(20-18(22)14-23-16-8-3-2-4-9-16)19(17-10-7-13-24-17)21-11-5-6-12-21/h2-4,7-10,13,15,19H,5-6,11-12,14H2,1H3,(H,20,22).
What are the key properties of 2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide?
2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)acetamide is sourced from PubChem (CID 3440250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).