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

C22H15N3OS2 — CID 1010503

IUPAC2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
SMILESN#Cc1c(-c2cccs2)cc(-c2ccc3ccccc3c2)nc1SCC(N)=O
InChIInChI=1S/C22H15N3OS2/c23-12-18-17(20-6-3-9-27-20)11-19(25-22(18)28-13-21(24)26)16-8-7-14-4-1-2-5-15(14)10-16/h1-11H,13H2,(H2,24,26)
InChIKeySDMRFZOHDRLFSA-UHFFFAOYSA-N
MW401.52 g/mol
LogP5.08
Rot. Bonds5

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

2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 1010503) has the molecular formula C22H15N3OS2 and a molecular weight of 401.52 g/mol. Its IUPAC name is 2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
PubChem CID1010503
Molecular FormulaC22H15N3OS2
Molecular Weight401.52 g/mol
Exact Mass401.07
IUPAC Name2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
SMILESN#Cc1c(-c2cccs2)cc(-c2ccc3ccccc3c2)nc1SCC(N)=O
InChIInChI=1S/C22H15N3OS2/c23-12-18-17(20-6-3-9-27-20)11-19(25-22(18)28-13-21(24)26)16-8-7-14-4-1-2-5-15(14)10-16/h1-11H,13H2,(H2,24,26)
InChIKeySDMRFZOHDRLFSA-UHFFFAOYSA-N
XLogP5.08
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide with MolForge

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Related Compounds

2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 681158
ethyl 2-[[3-cyano-6-[6-[5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]-4-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 23249049
2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 6984680
2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-cyclopentylacetamide
CID 1004504
methyl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 1035693
2-(2-oxopropylsulfanyl)-6-pyrazin-2-yl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 168859889
2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid
CID 627201
2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
CID 6460595
2-[[3-cyano-4-(4-methoxyphenyl)-6-pyridin-3-yl-2-pyridinyl]sulfanyl]acetamide
CID 46242707
propan-2-yl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 5120735
2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3334393
2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 2962037

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of 2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide (CID 1010503) is 2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for 2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide is N#Cc1c(-c2cccs2)cc(-c2ccc3ccccc3c2)nc1SCC(N)=O.
What is the InChIKey of 2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is SDMRFZOHDRLFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS2/c23-12-18-17(20-6-3-9-27-20)11-19(25-22(18)28-13-21(24)26)16-8-7-14-4-1-2-5-15(14)10-16/h1-11H,13H2,(H2,24,26).
What are the key properties of 2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide?
2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 401.52 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 1010503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).