N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide

C12H13NO3S — CID 66176243

IUPACN-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(O)CO)c1cc2ccccc2s1
InChIInChI=1S/C12H13NO3S/c14-7-9(15)6-13-12(16)11-5-8-3-1-2-4-10(8)17-11/h1-5,9,14-15H,6-7H2,(H,13,16)
InChIKeyVOJMFONVMDHDQD-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.98
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide

N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide (PubChem CID 66176243) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
PubChem CID66176243
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC NameN-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(O)CO)c1cc2ccccc2s1
InChIInChI=1S/C12H13NO3S/c14-7-9(15)6-13-12(16)11-5-8-3-1-2-4-10(8)17-11/h1-5,9,14-15H,6-7H2,(H,13,16)
InChIKeyVOJMFONVMDHDQD-UHFFFAOYSA-N
XLogP0.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
CID 110209283
N-(2,3-dihydroxypropyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104594
N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 43393393
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103723346
methyl 3-(1-benzothiophene-2-carbonylamino)-2-hydroxypropanoate
CID 103879191
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 110880623
N-(2-bromo-3-ethylpentyl)-1-benzothiophene-2-carboxamide
CID 106288355
3-(1-benzothiophene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107256
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62665755
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 110889455
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide
CID 111784598

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide (CID 66176243) is N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide is O=C(NCC(O)CO)c1cc2ccccc2s1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is VOJMFONVMDHDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c14-7-9(15)6-13-12(16)11-5-8-3-1-2-4-10(8)17-11/h1-5,9,14-15H,6-7H2,(H,13,16).
What are the key properties of N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide?
N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 66176243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).