N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide

C15H17NO3S — CID 133121701

IUPACN-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide
SMILESCCO[C@@H]1COC[C@H]1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H17NO3S/c1-2-19-12-9-18-8-11(12)16-15(17)14-7-10-5-3-4-6-13(10)20-14/h3-7,11-12H,2,8-9H2,1H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyZXUSFQDUQIVROE-VXGBXAGGSA-N
MW291.37 g/mol
LogP2.43
Rot. Bonds4

About N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide

N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide (PubChem CID 133121701) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide
PubChem CID133121701
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide
SMILESCCO[C@@H]1COC[C@H]1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H17NO3S/c1-2-19-12-9-18-8-11(12)16-15(17)14-7-10-5-3-4-6-13(10)20-14/h3-7,11-12H,2,8-9H2,1H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyZXUSFQDUQIVROE-VXGBXAGGSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide
CID 50949241
4-(1-benzothiophene-2-carbonylamino)-3-methyloxolane-3-carboxylic acid
CID 66254333
4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide
CID 122559839
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119609795
N-[(3R,4R)-4-methoxyoxan-3-yl]thieno[2,3-c]pyridine-2-carboxamide
CID 136587597
3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 133134619
N-(3,5,5-trimethylcyclohex-2-en-1-yl)-1-benzothiophene-2-carboxamide
CID 101152289
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119430331
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 118778216
3-ethoxy-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-prop-2-enoxybenzamide
CID 46982922

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide (CID 133121701) is N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide is CCO[C@@H]1COC[C@H]1NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZXUSFQDUQIVROE-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-19-12-9-18-8-11(12)16-15(17)14-7-10-5-3-4-6-13(10)20-14/h3-7,11-12H,2,8-9H2,1H3,(H,16,17)/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide?
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 133121701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).