(2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide

C15H16ClNO2S — CID 56753523

IUPAC(2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide
SMILESCN(Cc1sc2ccccc2c1Cl)C(=O)[C@H]1CCCO1
InChIInChI=1S/C15H16ClNO2S/c1-17(15(18)11-6-4-8-19-11)9-13-14(16)10-5-2-3-7-12(10)20-13/h2-3,5,7,11H,4,6,8-9H2,1H3/t11-/m1/s1
InChIKeyRXPJWUYRPBPSOR-LLVKDONJSA-N
MW309.82 g/mol
LogP3.69
Rot. Bonds3

About (2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide

(2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide (PubChem CID 56753523) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is (2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide
PubChem CID56753523
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name(2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide
SMILESCN(Cc1sc2ccccc2c1Cl)C(=O)[C@H]1CCCO1
InChIInChI=1S/C15H16ClNO2S/c1-17(15(18)11-6-4-8-19-11)9-13-14(16)10-5-2-3-7-12(10)20-13/h2-3,5,7,11H,4,6,8-9H2,1H3/t11-/m1/s1
InChIKeyRXPJWUYRPBPSOR-LLVKDONJSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide (CID 56753523) is (2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide is CN(Cc1sc2ccccc2c1Cl)C(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide?
The InChIKey is RXPJWUYRPBPSOR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-17(15(18)11-6-4-8-19-11)9-13-14(16)10-5-2-3-7-12(10)20-13/h2-3,5,7,11H,4,6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide?
(2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 56753523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).