N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide

C16H21NO2S — CID 10085672

IUPACN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1csc2ccc(OC)cc12
InChIInChI=1S/C16H21NO2S/c1-3-4-5-16(18)17-9-8-12-11-20-15-7-6-13(19-2)10-14(12)15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyZYBDZJNYFONWKO-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.76
Rot. Bonds7

About N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide

N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide (PubChem CID 10085672) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide
PubChem CID10085672
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1csc2ccc(OC)cc12
InChIInChI=1S/C16H21NO2S/c1-3-4-5-16(18)17-9-8-12-11-20-15-7-6-13(19-2)10-14(12)15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyZYBDZJNYFONWKO-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(2-(5-methoxybenzo(b)thien-3-yl)ethyl)-
CID 34247
(1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-
CID 461195
2,3,4,5-Tetrahydro-10-methoxybenzo[b]thieno[2,3-f]-1,5-thiazocin-6-one
CID 53321416
Thiophene-2-acetamide, N-(3,4-dimethoxyphenethyl)-
CID 785974
AANAT Inhibitor, 8d
CID 10087862
N-[2-[7-(1-benzothiophen-3-yl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238412
N-[2-(2-methoxyphenyl)ethyl]-2-(2-thienyl)acetamide
CID 1246879
N-[2-(4-methoxyphenyl)ethyl]-2-(2-thienyl)acetamide
CID 885121
(3S)-3-(1-benzothiophen-5-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 10293581
Cyclopropanecarboxylic acid [2-(5-methoxy-benzo[b]thiophen-3-yl)-ethyl]-amide
CID 10333620
Cyclobutanecarboxylic acid [2-(5-methoxy-benzo[b]thiophen-3-yl)-ethyl]-amide
CID 10379422
N-[2-(7-{4-[3-(2-Acetylaminoethyl)benzo[b]thiophen-5-yloxy]butoxy}naphthalen-1-yl)ethyl]acetamide
CID 18360658

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide (CID 10085672) is N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide is CCCCC(=O)NCCc1csc2ccc(OC)cc12.
What is the InChIKey of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide?
The InChIKey is ZYBDZJNYFONWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-4-5-16(18)17-9-8-12-11-20-15-7-6-13(19-2)10-14(12)15/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide?
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide has a molecular weight of 291.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide is sourced from PubChem (CID 10085672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).