3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide

C15H16ClNO2S — CID 1246039

IUPAC3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCCO1
InChIInChI=1S/C15H16ClNO2S/c1-9(11-6-4-8-19-11)17-15(18)14-13(16)10-5-2-3-7-12(10)20-14/h2-3,5,7,9,11H,4,6,8H2,1H3,(H,17,18)/t9-,11-/m0/s1
InChIKeyZPOLVNPAJUQHAV-ONGXEEELSA-N
MW309.82 g/mol
LogP3.85
Rot. Bonds3

About 3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 1246039) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide
PubChem CID1246039
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCCO1
InChIInChI=1S/C15H16ClNO2S/c1-9(11-6-4-8-19-11)17-15(18)14-13(16)10-5-2-3-7-12(10)20-14/h2-3,5,7,9,11H,4,6,8H2,1H3,(H,17,18)/t9-,11-/m0/s1
InChIKeyZPOLVNPAJUQHAV-ONGXEEELSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide
CID 1246036
3-chloro-N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 2970842
3-chloro-6-fluoro-N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 17330653
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 43240664
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 35261312
3-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1-benzothiophene-2-carbohydrazide
CID 17222484
[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 6976204
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707
3-chloro-N'-(cyclohexanecarbonyl)-1-benzothiophene-2-carbohydrazide
CID 923362
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide (CID 1246039) is 3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide is C[C@H](NC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCCO1.
What is the InChIKey of 3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZPOLVNPAJUQHAV-ONGXEEELSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-9(11-6-4-8-19-11)17-15(18)14-13(16)10-5-2-3-7-12(10)20-14/h2-3,5,7,9,11H,4,6,8H2,1H3,(H,17,18)/t9-,11-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1246039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).