N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide

C18H18N2O3S — CID 86263944

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC(C)(O)c2cc3ccccc3s2)c1=O
InChIInChI=1S/C18H18N2O3S/c1-18(23,15-10-12-6-3-4-8-14(12)24-15)11-19-16(21)13-7-5-9-20(2)17(13)22/h3-10,23H,11H2,1-2H3,(H,19,21)
InChIKeyHXLFGYYUHYNALB-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.24
Rot. Bonds4

About N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 86263944) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID86263944
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC(C)(O)c2cc3ccccc3s2)c1=O
InChIInChI=1S/C18H18N2O3S/c1-18(23,15-10-12-6-3-4-8-14(12)24-15)11-19-16(21)13-7-5-9-20(2)17(13)22/h3-10,23H,11H2,1-2H3,(H,19,21)
InChIKeyHXLFGYYUHYNALB-UHFFFAOYSA-N
XLogP2.24
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-3-(2-fluorophenyl)propanamide
CID 86263988
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71782355
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-(ethylthio)benzamide
CID 86263963
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 91630819
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]2,2-dimethylpropionamide
CID 99979804
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl](benzylthio)acetamide
CID 99980026
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]3-(phenylthio)propionamide
CID 99980040
2-[(S)-1-hydroxy-1-methyl-2-(N-cyclopentylcarbamoylcarbonylamino)ethyl]-1-benzothiophene
CID 99980588
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclobutanecarboxamide
CID 99979801
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-cyclopropylacetamide
CID 99980221
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-((4-fluorophenyl)thio)acetamide
CID 86263965
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-fluorobenzamide
CID 92067296

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 86263944) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCC(C)(O)c2cc3ccccc3s2)c1=O.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is HXLFGYYUHYNALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-18(23,15-10-12-6-3-4-8-14(12)24-15)11-19-16(21)13-7-5-9-20(2)17(13)22/h3-10,23H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 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]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 86263944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).