N-(1-benzothiophen-5-yl)-2-cyanobutanamide

C13H12N2OS — CID 65473775

IUPACN-(1-benzothiophen-5-yl)-2-cyanobutanamide
SMILESCCC(C#N)C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C13H12N2OS/c1-2-9(8-14)13(16)15-11-3-4-12-10(7-11)5-6-17-12/h3-7,9H,2H2,1H3,(H,15,16)
InChIKeyUSGDBYXHDUCKAP-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.39
Rot. Bonds3

About N-(1-benzothiophen-5-yl)-2-cyanobutanamide

N-(1-benzothiophen-5-yl)-2-cyanobutanamide (PubChem CID 65473775) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-cyanobutanamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-cyanobutanamide
PubChem CID65473775
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-(1-benzothiophen-5-yl)-2-cyanobutanamide
SMILESCCC(C#N)C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C13H12N2OS/c1-2-9(8-14)13(16)15-11-3-4-12-10(7-11)5-6-17-12/h3-7,9H,2H2,1H3,(H,15,16)
InChIKeyUSGDBYXHDUCKAP-UHFFFAOYSA-N
XLogP3.39
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-5-ylamino)butanenitrile
CID 65475855
(2R)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 104902766
(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 61179447
N-(4-bromophenyl)-2-cyanobutanamide
CID 55207882
2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
CID 107471323
2-cyano-N-(3-hydroxyphenyl)butanamide
CID 107857394
2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide
CID 107769632
N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide
CID 3632850
2-cyano-N-thiophen-2-ylbutanamide
CID 115188104
2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide
CID 115188126
4-amino-5-(1-benzothiophen-5-ylamino)-5-oxopentanoic acid
CID 64897152
2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide
CID 60751182

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-cyanobutanamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-cyanobutanamide (CID 65473775) is N-(1-benzothiophen-5-yl)-2-cyanobutanamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-cyanobutanamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-cyanobutanamide is CCC(C#N)C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-cyanobutanamide?
The InChIKey is USGDBYXHDUCKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-2-9(8-14)13(16)15-11-3-4-12-10(7-11)5-6-17-12/h3-7,9H,2H2,1H3,(H,15,16).
What are the key properties of N-(1-benzothiophen-5-yl)-2-cyanobutanamide?
N-(1-benzothiophen-5-yl)-2-cyanobutanamide has a molecular weight of 244.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-cyanobutanamide is sourced from PubChem (CID 65473775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).