N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide

C17H19NO2S — CID 7217406

IUPACN-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCc1cccc(NC(=O)C2(c3cccs3)CCOCC2)c1
InChIInChI=1S/C17H19NO2S/c1-13-4-2-5-14(12-13)18-16(19)17(7-9-20-10-8-17)15-6-3-11-21-15/h2-6,11-12H,7-10H2,1H3,(H,18,19)
InChIKeyQRWSMZVDUQODIX-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.74
Rot. Bonds3

About N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide

N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7217406) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7217406
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCc1cccc(NC(=O)C2(c3cccs3)CCOCC2)c1
InChIInChI=1S/C17H19NO2S/c1-13-4-2-5-14(12-13)18-16(19)17(7-9-20-10-8-17)15-6-3-11-21-15/h2-6,11-12H,7-10H2,1H3,(H,18,19)
InChIKeyQRWSMZVDUQODIX-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide (CID 7217406) is N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide is Cc1cccc(NC(=O)C2(c3cccs3)CCOCC2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is QRWSMZVDUQODIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-4-2-5-14(12-13)18-16(19)17(7-9-20-10-8-17)15-6-3-11-21-15/h2-6,11-12H,7-10H2,1H3,(H,18,19).
What are the key properties of N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7217406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).