2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide

C18H12N4O3S2 — CID 3706030

IUPAC2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide
SMILESN#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H12N4O3S2/c19-10-12-3-8-15(16-2-1-9-26-16)21-18(12)27-11-17(23)20-13-4-6-14(7-5-13)22(24)25/h1-9H,11H2,(H,20,23)
InChIKeyAWKXCKJLIMFNCA-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.32
Rot. Bonds6

About 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide

2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide (PubChem CID 3706030) has the molecular formula C18H12N4O3S2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide
PubChem CID3706030
Molecular FormulaC18H12N4O3S2
Molecular Weight396.45 g/mol
Exact Mass396.04
IUPAC Name2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide
SMILESN#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H12N4O3S2/c19-10-12-3-8-15(16-2-1-9-26-16)21-18(12)27-11-17(23)20-13-4-6-14(7-5-13)22(24)25/h1-9H,11H2,(H,20,23)
InChIKeyAWKXCKJLIMFNCA-UHFFFAOYSA-N
XLogP4.32
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(3-ME-PH)acetamide
CID 1035668
N-(2-Cyanophenyl)-2-((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)acetamide
CID 1256497
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]-N-propan-2-ylacetamide
CID 1002423
2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1238361
2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1270666
2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
CID 4992398
2-((3-Cyano-6-(2-thienyl)-4-(tri-F-ME)-2-pyridinyl)thio)-N-(2-F-PH)acetamide
CID 1369336
N-(3,5-Bis(trifluoromethyl)phenyl)-2-((3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)acetamide
CID 4241344
N-[2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]ethyl]acetamide
CID 6620935
2-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(4-fluorophenyl)acetamide
CID 1215486
N-benzyl-2-{[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
CID 1241034
2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 1930660

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide (CID 3706030) is 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide is N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide?
The InChIKey is AWKXCKJLIMFNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3S2/c19-10-12-3-8-15(16-2-1-9-26-16)21-18(12)27-11-17(23)20-13-4-6-14(7-5-13)22(24)25/h1-9H,11H2,(H,20,23).
What are the key properties of 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide?
2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3706030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).