2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide

C20H25NO3S — CID 90610971

IUPAC2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCOc1ccccc1C(=O)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C20H25NO3S/c1-2-24-19-8-4-3-7-18(19)20(22)21(16-10-13-23-14-11-16)12-9-17-6-5-15-25-17/h3-8,15-16H,2,9-14H2,1H3
InChIKeyYVNPXJAZLGMQRS-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.01
Rot. Bonds7

About 2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide

2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 90610971) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID90610971
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCOc1ccccc1C(=O)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C20H25NO3S/c1-2-24-19-8-4-3-7-18(19)20(22)21(16-10-13-23-14-11-16)12-9-17-6-5-15-25-17/h3-8,15-16H,2,9-14H2,1H3
InChIKeyYVNPXJAZLGMQRS-UHFFFAOYSA-N
XLogP4.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide (CID 90610971) is 2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide is CCOc1ccccc1C(=O)N(CCc1cccs1)C1CCOCC1.
What is the InChIKey of 2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is YVNPXJAZLGMQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-2-24-19-8-4-3-7-18(19)20(22)21(16-10-13-23-14-11-16)12-9-17-6-5-15-25-17/h3-8,15-16H,2,9-14H2,1H3.
What are the key properties of 2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide?
2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 359.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 90610971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).