N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide

C14H17NO3S — CID 171883191

IUPACN-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc2sccc2c1
InChIInChI=1S/C14H17NO3S/c1-9(16)15-6-4-12(17)14(18)11-2-3-13-10(8-11)5-7-19-13/h2-3,5,7-8,12,14,17-18H,4,6H2,1H3,(H,15,16)
InChIKeyUTFYODHZBRJRLG-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.82
Rot. Bonds5

About N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide

N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171883191) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide
PubChem CID171883191
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc2sccc2c1
InChIInChI=1S/C14H17NO3S/c1-9(16)15-6-4-12(17)14(18)11-2-3-13-10(8-11)5-7-19-13/h2-3,5,7-8,12,14,17-18H,4,6H2,1H3,(H,15,16)
InChIKeyUTFYODHZBRJRLG-UHFFFAOYSA-N
XLogP1.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820018
N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide
CID 171883218
N-[4-(3-amino-4-chlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882761
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789
N-[4-[4-chloro-3-(hydroxymethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882949
N-[4-(3-bromo-4-hydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884139
N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882600
N-[4-[3-(difluoromethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882893
N-[3,4-dihydroxy-4-(1-oxo-2H-phthalazin-6-yl)butyl]acetamide
CID 171883814
6-(4-acetamido-1,2-dihydroxybutyl)-1H-indole-2-carboxylic acid
CID 171883879
N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171883930

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide (CID 171883191) is N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1ccc2sccc2c1.
What is the InChIKey of N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is UTFYODHZBRJRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-9(16)15-6-4-12(17)14(18)11-2-3-13-10(8-11)5-7-19-13/h2-3,5,7-8,12,14,17-18H,4,6H2,1H3,(H,15,16).
What are the key properties of N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide?
N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171883191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).