(2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide

C19H19ClN2O2S — CID 71229893

IUPAC(2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
SMILESCC[C@@H](Oc1ncc(C)cc1Cl)C(=O)NCc1ccc2sccc2c1
InChIInChI=1S/C19H19ClN2O2S/c1-3-16(24-19-15(20)8-12(2)10-22-19)18(23)21-11-13-4-5-17-14(9-13)6-7-25-17/h4-10,16H,3,11H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyYEHUWMOFRVWHJF-MRXNPFEDSA-N
MW374.89 g/mol
LogP4.73
Rot. Bonds6

About (2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide

(2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide (PubChem CID 71229893) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is (2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide.

Molecular Properties

Compound Name(2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
PubChem CID71229893
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name(2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
SMILESCC[C@@H](Oc1ncc(C)cc1Cl)C(=O)NCc1ccc2sccc2c1
InChIInChI=1S/C19H19ClN2O2S/c1-3-16(24-19-15(20)8-12(2)10-22-19)18(23)21-11-13-4-5-17-14(9-13)6-7-25-17/h4-10,16H,3,11H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyYEHUWMOFRVWHJF-MRXNPFEDSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide with MolForge

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Related Compounds

N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
CID 71229485
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 71230209
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide
CID 90163472
(2R)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
CID 170444222
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3-formylphenyl)methyl]butanamide
CID 170433966
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide
CID 89392118
2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156
(2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 92683061
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 99133193
2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53289034
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218838

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide?
The IUPAC name of (2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide (CID 71229893) is (2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide.
What is the SMILES notation for (2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide?
The canonical SMILES for (2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide is CC[C@@H](Oc1ncc(C)cc1Cl)C(=O)NCc1ccc2sccc2c1.
What is the InChIKey of (2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide?
The InChIKey is YEHUWMOFRVWHJF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-3-16(24-19-15(20)8-12(2)10-22-19)18(23)21-11-13-4-5-17-14(9-13)6-7-25-17/h4-10,16H,3,11H2,1-2H3,(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide?
(2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide has a molecular weight of 374.89 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide is sourced from PubChem (CID 71229893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).