N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide

C21H25NO2S — CID 71781420

IUPACN-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
SMILESO=C(N(CCc1cccs1)C1CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H25NO2S/c23-20(22(18-8-9-18)13-10-19-7-4-16-25-19)21(11-14-24-15-12-21)17-5-2-1-3-6-17/h1-7,16,18H,8-15H2
InChIKeyAHDDRTQQYLMCPU-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.03
Rot. Bonds6

About N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide

N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide (PubChem CID 71781420) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
PubChem CID71781420
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC NameN-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
SMILESO=C(N(CCc1cccs1)C1CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H25NO2S/c23-20(22(18-8-9-18)13-10-19-7-4-16-25-19)21(11-14-24-15-12-21)17-5-2-1-3-6-17/h1-7,16,18H,8-15H2
InChIKeyAHDDRTQQYLMCPU-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide?
The IUPAC name of N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide (CID 71781420) is N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide?
The canonical SMILES for N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide is O=C(N(CCc1cccs1)C1CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide?
The InChIKey is AHDDRTQQYLMCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c23-20(22(18-8-9-18)13-10-19-7-4-16-25-19)21(11-14-24-15-12-21)17-5-2-1-3-6-17/h1-7,16,18H,8-15H2.
What are the key properties of N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide?
N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide has a molecular weight of 355.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-phenyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 71781420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).