N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide

C18H20ClNO2S — CID 7243532

IUPACN-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C18H20ClNO2S/c19-15-5-3-14(4-6-15)7-10-20-17(21)18(8-11-22-12-9-18)16-2-1-13-23-16/h1-6,13H,7-12H2,(H,20,21)
InChIKeyRSLSMMBCSGWZOC-UHFFFAOYSA-N
MW349.88 g/mol
LogP3.81
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243532) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243532
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C18H20ClNO2S/c19-15-5-3-14(4-6-15)7-10-20-17(21)18(8-11-22-12-9-18)16-2-1-13-23-16/h1-6,13H,7-12H2,(H,20,21)
InChIKeyRSLSMMBCSGWZOC-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide (CID 7243532) is N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1(c2cccs2)CCOCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is RSLSMMBCSGWZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c19-15-5-3-14(4-6-15)7-10-20-17(21)18(8-11-22-12-9-18)16-2-1-13-23-16/h1-6,13H,7-12H2,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 349.88 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).