N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide

C14H19NO2S — CID 30943567

IUPACN-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)C1CC1
InChIInChI=1S/C14H19NO2S/c16-13(11-3-4-11)15-10-14(5-7-17-8-6-14)12-2-1-9-18-12/h1-2,9,11H,3-8,10H2,(H,15,16)
InChIKeyRTDNOLQRSFQRFF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.32
Rot. Bonds4

About N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide

N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide (PubChem CID 30943567) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide
PubChem CID30943567
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)C1CC1
InChIInChI=1S/C14H19NO2S/c16-13(11-3-4-11)15-10-14(5-7-17-8-6-14)12-2-1-9-18-12/h1-2,9,11H,3-8,10H2,(H,15,16)
InChIKeyRTDNOLQRSFQRFF-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide (CID 30943567) is N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide is O=C(NCC1(c2cccs2)CCOCC1)C1CC1.
What is the InChIKey of N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide?
The InChIKey is RTDNOLQRSFQRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-13(11-3-4-11)15-10-14(5-7-17-8-6-14)12-2-1-9-18-12/h1-2,9,11H,3-8,10H2,(H,15,16).
What are the key properties of N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide?
N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-thiophen-2-yloxan-4-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 30943567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).