2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide

C21H17N5OS2 — CID 660699

IUPAC2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESN#Cc1c(N)nc(SCC(=O)NCCc2ccccc2)c(C#N)c1-c1cccs1
InChIInChI=1S/C21H17N5OS2/c22-11-15-19(17-7-4-10-28-17)16(12-23)21(26-20(15)24)29-13-18(27)25-9-8-14-5-2-1-3-6-14/h1-7,10H,8-9,13H2,(H2,24,26)(H,25,27)
InChIKeySJUCPKDGHIEMPP-UHFFFAOYSA-N
MW419.54 g/mol
LogP3.59
Rot. Bonds7

About 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide

2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 660699) has the molecular formula C21H17N5OS2 and a molecular weight of 419.54 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID660699
Molecular FormulaC21H17N5OS2
Molecular Weight419.54 g/mol
Exact Mass419.09
IUPAC Name2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESN#Cc1c(N)nc(SCC(=O)NCCc2ccccc2)c(C#N)c1-c1cccs1
InChIInChI=1S/C21H17N5OS2/c22-11-15-19(17-7-4-10-28-17)16(12-23)21(26-20(15)24)29-13-18(27)25-9-8-14-5-2-1-3-6-14/h1-7,10H,8-9,13H2,(H2,24,26)(H,25,27)
InChIKeySJUCPKDGHIEMPP-UHFFFAOYSA-N
XLogP3.59
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide with MolForge

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Related Compounds

2-Amino-6-[(3-methylbenzyl)sulfanyl]-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 1201836
2-Amino-6-(2-hydroxyethylsulfanyl)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
CID 69961639
3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]-N-(2-aminoethyl)benzamide
CID 66633776
2-Amino-6-(butylsulfanyl)-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 660914
2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]-N-propan-2-ylacetamide
CID 1002423
2-{[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridinyl]sulfanyl}-N,N-diethylacetamide
CID 1773311
2-Amino-6-(2-oxo-propylsulfanyl)-4-thiophen-2-yl-pyridine-3,5-dicarbonitrile
CID 1773316
2-Amino-4-(4-isopropylphenyl)-6-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-3,5-pyridinedicarbonitrile
CID 2197541
2-[(6-amino-3,5-dicyano-4-thien-2-ylpyridin-2-yl)thio]-N-(2-methylphenyl)acetamide
CID 3242698
2-amino-5-cyano-6-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 16300433
2-Amino-6-[(2-oxo-2-phenylethyl)sulfanyl]-4-(3-thienyl)pyridine-3,5-dicarbonitrile
CID 46838966
2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 1002275

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide (CID 660699) is 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide is N#Cc1c(N)nc(SCC(=O)NCCc2ccccc2)c(C#N)c1-c1cccs1.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is SJUCPKDGHIEMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS2/c22-11-15-19(17-7-4-10-28-17)16(12-23)21(26-20(15)24)29-13-18(27)25-9-8-14-5-2-1-3-6-14/h1-7,10H,8-9,13H2,(H2,24,26)(H,25,27).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide?
2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 419.54 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 660699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).