2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide

C15H9ClN2O2S2 — CID 2392283

IUPAC2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide
SMILESN#Cc1c(NC(=O)CCl)oc(-c2cccs2)c1-c1cccs1
InChIInChI=1S/C15H9ClN2O2S2/c16-7-12(19)18-15-9(8-17)13(10-3-1-5-21-10)14(20-15)11-4-2-6-22-11/h1-6H,7H2,(H,18,19)
InChIKeyJBBFTASYEYCWBZ-UHFFFAOYSA-N
MW348.84 g/mol
LogP4.79
Rot. Bonds4

About 2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide

2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide (PubChem CID 2392283) has the molecular formula C15H9ClN2O2S2 and a molecular weight of 348.84 g/mol. Its IUPAC name is 2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide
PubChem CID2392283
Molecular FormulaC15H9ClN2O2S2
Molecular Weight348.84 g/mol
Exact Mass347.98
IUPAC Name2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide
SMILESN#Cc1c(NC(=O)CCl)oc(-c2cccs2)c1-c1cccs1
InChIInChI=1S/C15H9ClN2O2S2/c16-7-12(19)18-15-9(8-17)13(10-3-1-5-21-10)14(20-15)11-4-2-6-22-11/h1-6H,7H2,(H,18,19)
InChIKeyJBBFTASYEYCWBZ-UHFFFAOYSA-N
XLogP4.79
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
2-chloro-N-thiophen-2-ylacetamide
CID 21274756
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 108757680
4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
CID 108757677
3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108802318
5-amino-2-phenyl-4-thiophen-2-ylfuran-3-carbonitrile
CID 82045455
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide
CID 146105331
methyl 4-cyano-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxylate
CID 2819151
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide (CID 2392283) is 2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide is N#Cc1c(NC(=O)CCl)oc(-c2cccs2)c1-c1cccs1.
What is the InChIKey of 2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide?
The InChIKey is JBBFTASYEYCWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2S2/c16-7-12(19)18-15-9(8-17)13(10-3-1-5-21-10)14(20-15)11-4-2-6-22-11/h1-6H,7H2,(H,18,19).
What are the key properties of 2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide?
2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide has a molecular weight of 348.84 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyano-4,5-dithiophen-2-ylfuran-2-yl)acetamide is sourced from PubChem (CID 2392283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).