(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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Related Compounds

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 154903609
N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 43458438
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 95221460
2-[(3-chloro-1-benzothiophen-2-yl)methyl-methylamino]acetic acid
CID 43442660
3-[(3-chloro-1-benzothiophen-2-yl)methyl-cyclopropylamino]propanoic acid
CID 60838185
[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 6976204
(2S)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide
CID 38632443
N'-[(3-chloro-1-benzothiophen-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 81493676
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-3-(methanesulfonamido)-N-methylpropanamide
CID 91830777
(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
CID 56755678
3-[(3-chloro-1-benzothiophen-2-yl)methyl-cyclobutylamino]propan-1-ol
CID 102848299
(2S)-N-[(5-bromothiophen-3-yl)methyl]-N-methyloxolane-2-carboxamide
CID 103872749

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).