2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide

C14H21NO2S — CID 30943570

IUPAC2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C14H21NO2S/c1-11(2)13(16)15-10-14(5-7-17-8-6-14)12-4-3-9-18-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,16)
InChIKeyOGWLZBVWESRNJK-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.57
Rot. Bonds4

About 2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide

2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide (PubChem CID 30943570) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide
PubChem CID30943570
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C14H21NO2S/c1-11(2)13(16)15-10-14(5-7-17-8-6-14)12-4-3-9-18-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,16)
InChIKeyOGWLZBVWESRNJK-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide (CID 30943570) is 2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide is CC(C)C(=O)NCC1(c2cccs2)CCOCC1.
What is the InChIKey of 2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide?
The InChIKey is OGWLZBVWESRNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(2)13(16)15-10-14(5-7-17-8-6-14)12-4-3-9-18-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide?
2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide has a molecular weight of 267.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 30943570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).