2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide

C20H14BrNOS — CID 90844313

IUPAC2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide
SMILESO=C(Cc1csc2ccc(Br)cc12)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H14BrNOS/c21-16-6-8-19-18(11-16)15(12-24-19)10-20(23)22-17-7-5-13-3-1-2-4-14(13)9-17/h1-9,11-12H,10H2,(H,22,23)
InChIKeyOVBJBWVQRKQYFU-UHFFFAOYSA-N
MW396.31 g/mol
LogP6.00
Rot. Bonds3

About 2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide

2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide (PubChem CID 90844313) has the molecular formula C20H14BrNOS and a molecular weight of 396.31 g/mol. Its IUPAC name is 2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide
PubChem CID90844313
Molecular FormulaC20H14BrNOS
Molecular Weight396.31 g/mol
Exact Mass395.00
IUPAC Name2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide
SMILESO=C(Cc1csc2ccc(Br)cc12)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H14BrNOS/c21-16-6-8-19-18(11-16)15(12-24-19)10-20(23)22-17-7-5-13-3-1-2-4-14(13)9-17/h1-9,11-12H,10H2,(H,22,23)
InChIKeyOVBJBWVQRKQYFU-UHFFFAOYSA-N
XLogP6.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.31
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-naphthalen-2-ylacetamide
CID 100697686
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
N-(1-benzothiophen-5-yl)-2-naphthalen-1-ylacetamide
CID 23791200
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149341
N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide
CID 90955606
N-(5-bromonaphthalen-2-yl)-2-(2-fluorophenyl)acetamide
CID 146022091
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527
[2-(naphthalen-2-ylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 8803664
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
[3-(naphthalen-2-ylamino)-3-oxopropyl]azanium
CID 7021427
N-(6-bromonaphthalen-2-yl)-2-cyclopropylacetamide
CID 81004000
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide (CID 90844313) is 2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide is O=C(Cc1csc2ccc(Br)cc12)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide?
The InChIKey is OVBJBWVQRKQYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNOS/c21-16-6-8-19-18(11-16)15(12-24-19)10-20(23)22-17-7-5-13-3-1-2-4-14(13)9-17/h1-9,11-12H,10H2,(H,22,23).
What are the key properties of 2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide?
2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide has a molecular weight of 396.31 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 90844313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).