N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide

C15H16N2O2S — CID 7809163

IUPACN-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
SMILESO=C(CNC(=O)Cc1ccccc1)NCc1cccs1
InChIInChI=1S/C15H16N2O2S/c18-14(9-12-5-2-1-3-6-12)17-11-15(19)16-10-13-7-4-8-20-13/h1-8H,9-11H2,(H,16,19)(H,17,18)
InChIKeyDOIMNNSVPBNPFD-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.72
Rot. Bonds6

About N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide

N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide (PubChem CID 7809163) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
PubChem CID7809163
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
SMILESO=C(CNC(=O)Cc1ccccc1)NCc1cccs1
InChIInChI=1S/C15H16N2O2S/c18-14(9-12-5-2-1-3-6-12)17-11-15(19)16-10-13-7-4-8-20-13/h1-8H,9-11H2,(H,16,19)(H,17,18)
InChIKeyDOIMNNSVPBNPFD-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Thiophene derivative, 3b
CID 25023796
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CID 566340
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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide (CID 7809163) is N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide is O=C(CNC(=O)Cc1ccccc1)NCc1cccs1.
What is the InChIKey of N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide?
The InChIKey is DOIMNNSVPBNPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14(9-12-5-2-1-3-6-12)17-11-15(19)16-10-13-7-4-8-20-13/h1-8H,9-11H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide?
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide has a molecular weight of 288.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 7809163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).