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

C15H23NO2S — CID 7217405

IUPACN-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCC(C)CCNC(=O)C1(c2cccs2)CCOCC1
InChIInChI=1S/C15H23NO2S/c1-12(2)5-8-16-14(17)15(6-9-18-10-7-15)13-4-3-11-19-13/h3-4,11-12H,5-10H2,1-2H3,(H,16,17)
InChIKeyOPISPCAJTBAHNK-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.96
Rot. Bonds5

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

N-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7217405) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7217405
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESCC(C)CCNC(=O)C1(c2cccs2)CCOCC1
InChIInChI=1S/C15H23NO2S/c1-12(2)5-8-16-14(17)15(6-9-18-10-7-15)13-4-3-11-19-13/h3-4,11-12H,5-10H2,1-2H3,(H,16,17)
InChIKeyOPISPCAJTBAHNK-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide (CID 7217405) is N-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide is CC(C)CCNC(=O)C1(c2cccs2)CCOCC1.
What is the InChIKey of N-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is OPISPCAJTBAHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(2)5-8-16-14(17)15(6-9-18-10-7-15)13-4-3-11-19-13/h3-4,11-12H,5-10H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7217405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).