N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide

C23H19NO3S — CID 121179463

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H19NO3S/c25-21(20-15-28-22-9-5-4-8-19(20)22)14-24-23(26)16-10-12-18(13-11-16)27-17-6-2-1-3-7-17/h1-13,15,21,25H,14H2,(H,24,26)
InChIKeyOQXHSLQXXLMTIQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.16
Rot. Bonds6

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide (PubChem CID 121179463) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide
PubChem CID121179463
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H19NO3S/c25-21(20-15-28-22-9-5-4-8-19(20)22)14-24-23(26)16-10-12-18(13-11-16)27-17-6-2-1-3-7-17/h1-13,15,21,25H,14H2,(H,24,26)
InChIKeyOQXHSLQXXLMTIQ-UHFFFAOYSA-N
XLogP5.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide
CID 91630827
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-methyl-3-nitrobenzamide
CID 121179411
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide
CID 146093968
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-chlorophenoxy)acetamide
CID 100724869
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1,3-benzothiazole-2-carboxamide
CID 100724754
1-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(4-ethoxyphenyl)urea
CID 121179687
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide
CID 121179488
[2-[[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]amino]-2-oxoethyl] acetate
CID 91630866
(3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid
CID 94550405

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide (CID 121179463) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide is O=C(NCC(O)c1csc2ccccc12)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide?
The InChIKey is OQXHSLQXXLMTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c25-21(20-15-28-22-9-5-4-8-19(20)22)14-24-23(26)16-10-12-18(13-11-16)27-17-6-2-1-3-7-17/h1-13,15,21,25H,14H2,(H,24,26).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide has a molecular weight of 389.48 g/mol, XLogP of 5.16, 6 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]-4-phenoxybenzamide is sourced from PubChem (CID 121179463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).