N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide

C18H17N3O3S — CID 86264037

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1cccnc1)c1cc2ccccc2s1
InChIInChI=1S/C18H17N3O3S/c1-18(24,15-9-12-5-2-3-7-14(12)25-15)11-20-16(22)17(23)21-13-6-4-8-19-10-13/h2-10,24H,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyUYTMNEPLOJFQRX-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.26
Rot. Bonds4

About N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide (PubChem CID 86264037) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide
PubChem CID86264037
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1cccnc1)c1cc2ccccc2s1
InChIInChI=1S/C18H17N3O3S/c1-18(24,15-9-12-5-2-3-7-14(12)25-15)11-20-16(22)17(23)21-13-6-4-8-19-10-13/h2-10,24H,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyUYTMNEPLOJFQRX-UHFFFAOYSA-N
XLogP2.26
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-(3-chloro-2-methylphenyl)oxamide
CID 99980679
N'-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 86264041
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
CID 86263942
1-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(4-ethoxyphenyl)urea
CID 99980812
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
CID 99979902
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-pyridin-3-yloxamide
CID 71788826
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-pyridin-3-yloxamide
CID 95379554
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 99980288
5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide
CID 10944780
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide
CID 86263964
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]ethanesulfonamide
CID 99980295

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide (CID 86264037) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide is CC(O)(CNC(=O)C(=O)Nc1cccnc1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide?
The InChIKey is UYTMNEPLOJFQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-18(24,15-9-12-5-2-3-7-14(12)25-15)11-20-16(22)17(23)21-13-6-4-8-19-10-13/h2-10,24H,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide has a molecular weight of 355.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-pyridin-3-yloxamide is sourced from PubChem (CID 86264037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).