2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide

C14H15NOS2 — CID 55235923

IUPAC2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(OCCc2cccs2)cc1
InChIInChI=1S/C14H15NOS2/c15-14(17)10-11-3-5-12(6-4-11)16-8-7-13-2-1-9-18-13/h1-6,9H,7-8,10H2,(H2,15,17)
InChIKeyBWIJFMMKMIQPIF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.20
Rot. Bonds6

About 2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide

2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide (PubChem CID 55235923) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide
PubChem CID55235923
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC Name2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(OCCc2cccs2)cc1
InChIInChI=1S/C14H15NOS2/c15-14(17)10-11-3-5-12(6-4-11)16-8-7-13-2-1-9-18-13/h1-6,9H,7-8,10H2,(H2,15,17)
InChIKeyBWIJFMMKMIQPIF-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495566
2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide
CID 60891304
2-[2-(4-iodophenoxy)ethyl]thiophene
CID 63775309
2-[4-(3-methoxypropoxy)phenyl]ethanethioamide
CID 60926331
4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
2-(4-phenylmethoxyphenyl)ethanethioamide
CID 24702892
3-[2-[4-(2-thiophen-2-ylethoxy)phenyl]ethylamino]propanoic acid
CID 23121591
2-[4-(2-butoxyethoxy)phenyl]ethanethioamide
CID 43291475
N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide
CID 76905925
[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 81278557
2-[2-[2-(4-bromophenoxy)ethoxy]ethyl]thiophene
CID 54970997
N-hydroxy-N'-[4-(2-thiophen-2-ylethoxy)phenyl]methanimidamide
CID 20763518

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide?
The IUPAC name of 2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide (CID 55235923) is 2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide?
The canonical SMILES for 2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide is NC(=S)Cc1ccc(OCCc2cccs2)cc1.
What is the InChIKey of 2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide?
The InChIKey is BWIJFMMKMIQPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c15-14(17)10-11-3-5-12(6-4-11)16-8-7-13-2-1-9-18-13/h1-6,9H,7-8,10H2,(H2,15,17).
What are the key properties of 2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide?
2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide has a molecular weight of 277.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-thiophen-2-ylethoxy)phenyl]ethanethioamide is sourced from PubChem (CID 55235923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).