N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide

C13H19NO2S — CID 91914991

IUPACN-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide
SMILESCN(CC1CCOCC1)C(=O)Cc1ccsc1
InChIInChI=1S/C13H19NO2S/c1-14(9-11-2-5-16-6-3-11)13(15)8-12-4-7-17-10-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3
InChIKeyVHIFCSGWDPYWBR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide

N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide (PubChem CID 91914991) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide
PubChem CID91914991
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide
SMILESCN(CC1CCOCC1)C(=O)Cc1ccsc1
InChIInChI=1S/C13H19NO2S/c1-14(9-11-2-5-16-6-3-11)13(15)8-12-4-7-17-10-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3
InChIKeyVHIFCSGWDPYWBR-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide (CID 91914991) is N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide is CN(CC1CCOCC1)C(=O)Cc1ccsc1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide?
The InChIKey is VHIFCSGWDPYWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-14(9-11-2-5-16-6-3-11)13(15)8-12-4-7-17-10-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide?
N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide has a molecular weight of 253.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91914991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).