2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile

C20H16N2OS2 — CID 162236647

IUPAC2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile
SMILESN#CCc1cccc2ccsc12.NC(=O)Cc1cccc2ccsc12
InChIInChI=1S/C10H9NOS.C10H7NS/c11-9(12)6-8-3-1-2-7-4-5-13-10(7)8;11-6-4-8-2-1-3-9-5-7-12-10(8)9/h1-5H,6H2,(H2,11,12);1-3,5,7H,4H2
InChIKeyZWDMDWVKUSEYCW-UHFFFAOYSA-N
MW364.50 g/mol
LogP4.90
Rot. Bonds3

About 2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile

2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile (PubChem CID 162236647) has the molecular formula C20H16N2OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile
PubChem CID162236647
Molecular FormulaC20H16N2OS2
Molecular Weight364.50 g/mol
Exact Mass364.07
IUPAC Name2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile
SMILESN#CCc1cccc2ccsc12.NC(=O)Cc1cccc2ccsc12
InChIInChI=1S/C10H9NOS.C10H7NS/c11-9(12)6-8-3-1-2-7-4-5-13-10(7)8;11-6-4-8-2-1-3-9-5-7-12-10(8)9/h1-5H,6H2,(H2,11,12);1-3,5,7H,4H2
InChIKeyZWDMDWVKUSEYCW-UHFFFAOYSA-N
XLogP4.90
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzothiophen-7-yl)-2-chloropropanamide
CID 130770729
7-(bromomethyl)-1-benzothiophene
CID 10751761
7-(3-chloropropyl)-1-benzothiophene
CID 81146584
2-[3-(aminomethyl)-2-benzoylphenyl]acetonitrile
CID 150702449
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
3-(cyanomethyl)-2-methylbenzoic acid
CID 66621142
2-(7-bromo-6-chloro-1-benzothiophen-5-yl)acetonitrile
CID 130816524
2-(7-amino-4-hydroxy-1-benzothiophen-5-yl)acetonitrile
CID 130821249
1-(1-benzothiophen-7-yl)pentan-3-ol
CID 81147774
[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116584292
2-[2-chloro-3-(thiophene-2-carbonyl)phenyl]acetonitrile
CID 21391785

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile?
The IUPAC name of 2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile (CID 162236647) is 2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile.
What is the SMILES notation for 2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile?
The canonical SMILES for 2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile is N#CCc1cccc2ccsc12.NC(=O)Cc1cccc2ccsc12.
What is the InChIKey of 2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile?
The InChIKey is ZWDMDWVKUSEYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS.C10H7NS/c11-9(12)6-8-3-1-2-7-4-5-13-10(7)8;11-6-4-8-2-1-3-9-5-7-12-10(8)9/h1-5H,6H2,(H2,11,12);1-3,5,7H,4H2.
What are the key properties of 2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile?
2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile has a molecular weight of 364.50 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-7-yl)acetamide;2-(1-benzothiophen-7-yl)acetonitrile is sourced from PubChem (CID 162236647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).