N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide

C16H15NO2S3 — CID 121170151

IUPACN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C16H15NO2S3/c18-15(8-12-3-6-20-9-12)17-11-16(19,13-4-7-21-10-13)14-2-1-5-22-14/h1-7,9-10,19H,8,11H2,(H,17,18)
InChIKeyWWMDOQKGLLFXCQ-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.47
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide (PubChem CID 121170151) has the molecular formula C16H15NO2S3 and a molecular weight of 349.50 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
PubChem CID121170151
Molecular FormulaC16H15NO2S3
Molecular Weight349.50 g/mol
Exact Mass349.03
IUPAC NameN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C16H15NO2S3/c18-15(8-12-3-6-20-9-12)17-11-16(19,13-4-7-21-10-13)14-2-1-5-22-14/h1-7,9-10,19H,8,11H2,(H,17,18)
InChIKeyWWMDOQKGLLFXCQ-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124760669
N-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124877781
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
3-cyclohexyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)propanamide
CID 121170042
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 124760414
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide
CID 121170078
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide
CID 124759513
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124878214
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 124878438
2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 129417977

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide (CID 121170151) is N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCC(O)(c1ccsc1)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide?
The InChIKey is WWMDOQKGLLFXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S3/c18-15(8-12-3-6-20-9-12)17-11-16(19,13-4-7-21-10-13)14-2-1-5-22-14/h1-7,9-10,19H,8,11H2,(H,17,18).
What are the key properties of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide?
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide has a molecular weight of 349.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 121170151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).