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

C20H21ClN2O2S — CID 71229485

IUPACN-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
SMILESCCC(Oc1ncc(C)cc1Cl)C(=O)NC(C)c1ccc2sccc2c1
InChIInChI=1S/C20H21ClN2O2S/c1-4-17(25-20-16(21)9-12(2)11-22-20)19(24)23-13(3)14-5-6-18-15(10-14)7-8-26-18/h5-11,13,17H,4H2,1-3H3,(H,23,24)
InChIKeyDDLCIYRFWHDHQS-UHFFFAOYSA-N
MW388.92 g/mol
LogP5.29
Rot. Bonds6

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

N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide (PubChem CID 71229485) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
PubChem CID71229485
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC NameN-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
SMILESCCC(Oc1ncc(C)cc1Cl)C(=O)NC(C)c1ccc2sccc2c1
InChIInChI=1S/C20H21ClN2O2S/c1-4-17(25-20-16(21)9-12(2)11-22-20)19(24)23-13(3)14-5-6-18-15(10-14)7-8-26-18/h5-11,13,17H,4H2,1-3H3,(H,23,24)
InChIKeyDDLCIYRFWHDHQS-UHFFFAOYSA-N
XLogP5.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.92
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2R)-N-(1-benzothiophen-5-ylmethyl)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
CID 71229893
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 71229487
(2R)-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide
CID 170444222
2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43917030
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133147
(2S)-2-(3,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133215
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43875959
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93487474
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012273
(2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[2-(4-methylphenyl)ethyl]butanamide
CID 90163472

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide?
The IUPAC name of N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide (CID 71229485) is N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide.
What is the SMILES notation for N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide?
The canonical SMILES for N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide is CCC(Oc1ncc(C)cc1Cl)C(=O)NC(C)c1ccc2sccc2c1.
What is the InChIKey of N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide?
The InChIKey is DDLCIYRFWHDHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-4-17(25-20-16(21)9-12(2)11-22-20)19(24)23-13(3)14-5-6-18-15(10-14)7-8-26-18/h5-11,13,17H,4H2,1-3H3,(H,23,24).
What are the key properties of N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide?
N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide has a molecular weight of 388.92 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-5-yl)ethyl]-2-[(3-chloro-5-methyl-2-pyridinyl)oxy]butanamide is sourced from PubChem (CID 71229485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).