N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide

C16H15NO2S2 — CID 121179488

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC(O)c1csc2ccccc12
InChIInChI=1S/C16H15NO2S2/c18-14(8-17-16(19)7-11-5-6-20-9-11)13-10-21-15-4-2-1-3-12(13)15/h1-6,9-10,14,18H,7-8H2,(H,17,19)
InChIKeyYMFFUTCGCJHCQJ-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide (PubChem CID 121179488) has the molecular formula C16H15NO2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide
PubChem CID121179488
Molecular FormulaC16H15NO2S2
Molecular Weight317.44 g/mol
Exact Mass317.05
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC(O)c1csc2ccccc12
InChIInChI=1S/C16H15NO2S2/c18-14(8-17-16(19)7-11-5-6-20-9-11)13-10-21-15-4-2-1-3-12(13)15/h1-6,9-10,14,18H,7-8H2,(H,17,19)
InChIKeyYMFFUTCGCJHCQJ-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide
CID 121179497
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 100724264
[2-[[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]amino]-2-oxoethyl] acetate
CID 91630866
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 100725327
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(3-chlorophenyl)propanamide
CID 121179489
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 100724436
1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-[(4-chlorophenyl)methyl]urea
CID 100727077
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide
CID 100724869
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-cyclopentylsulfanylacetamide
CID 91630824

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide (CID 121179488) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCC(O)c1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide?
The InChIKey is YMFFUTCGCJHCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S2/c18-14(8-17-16(19)7-11-5-6-20-9-11)13-10-21-15-4-2-1-3-12(13)15/h1-6,9-10,14,18H,7-8H2,(H,17,19).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide has a molecular weight of 317.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 121179488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).