N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide

C18H21NO2S — CID 7243515

IUPACN-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
SMILESCc1ccc(CNC(=O)C2(c3cccs3)CCOCC2)cc1
InChIInChI=1S/C18H21NO2S/c1-14-4-6-15(7-5-14)13-19-17(20)18(8-10-21-11-9-18)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3,(H,19,20)
InChIKeyQYOACOLTKNZHHQ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.42
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide

N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243515) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243515
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide
SMILESCc1ccc(CNC(=O)C2(c3cccs3)CCOCC2)cc1
InChIInChI=1S/C18H21NO2S/c1-14-4-6-15(7-5-14)13-19-17(20)18(8-10-21-11-9-18)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3,(H,19,20)
InChIKeyQYOACOLTKNZHHQ-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide (CID 7243515) is N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide is Cc1ccc(CNC(=O)C2(c3cccs3)CCOCC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is QYOACOLTKNZHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-4-6-15(7-5-14)13-19-17(20)18(8-10-21-11-9-18)16-3-2-12-22-16/h2-7,12H,8-11,13H2,1H3,(H,19,20).
What are the key properties of N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide?
N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).