N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide

C14H17NO3S — CID 55012559

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1csc2ccccc12
InChIInChI=1S/C14H17NO3S/c1-15(7-10(16)8-18-2)14(17)12-9-19-13-6-4-3-5-11(12)13/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyKOVDIZBMGPFLRQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.98
Rot. Bonds5

About N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide

N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide (PubChem CID 55012559) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide
PubChem CID55012559
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1csc2ccccc12
InChIInChI=1S/C14H17NO3S/c1-15(7-10(16)8-18-2)14(17)12-9-19-13-6-4-3-5-11(12)13/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyKOVDIZBMGPFLRQ-UHFFFAOYSA-N
XLogP1.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 55012555
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 122151930
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide
CID 112826472
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 113347205
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 54993522
1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide
CID 62185684
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 119454757
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 54993258
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
3-[1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827586

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide (CID 55012559) is N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide is COCC(O)CN(C)C(=O)c1csc2ccccc12.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is KOVDIZBMGPFLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-15(7-10(16)8-18-2)14(17)12-9-19-13-6-4-3-5-11(12)13/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 55012559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).