N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide

C20H21NO2S — CID 169439484

IUPACN-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N(C)CC[C@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C20H21NO2S/c1-15(22)21(2)13-12-19(20-11-6-14-24-20)23-18-10-5-8-16-7-3-4-9-17(16)18/h3-11,14,19H,12-13H2,1-2H3/t19-/m0/s1
InChIKeyXVGRKIDSOPYVEU-IBGZPJMESA-N
MW339.46 g/mol
LogP4.89
Rot. Bonds6

About N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide

N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide (PubChem CID 169439484) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide
PubChem CID169439484
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N(C)CC[C@H](Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C20H21NO2S/c1-15(22)21(2)13-12-19(20-11-6-14-24-20)23-18-10-5-8-16-7-3-4-9-17(16)18/h3-11,14,19H,12-13H2,1-2H3/t19-/m0/s1
InChIKeyXVGRKIDSOPYVEU-IBGZPJMESA-N
XLogP4.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide?
The IUPAC name of N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide (CID 169439484) is N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide is CC(=O)N(C)CC[C@H](Oc1cccc2ccccc12)c1cccs1.
What is the InChIKey of N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide?
The InChIKey is XVGRKIDSOPYVEU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21NO2S/c1-15(22)21(2)13-12-19(20-11-6-14-24-20)23-18-10-5-8-16-7-3-4-9-17(16)18/h3-11,14,19H,12-13H2,1-2H3/t19-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide?
N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 169439484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).