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

C19H15N3O2S2 — CID 4013372

IUPAC2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)c1
InChIInChI=1S/C19H15N3O2S2/c1-24-15-5-2-4-14(10-15)21-18(23)12-26-19-13(11-20)7-8-16(22-19)17-6-3-9-25-17/h2-10H,12H2,1H3,(H,21,23)
InChIKeyFMPHJGWYPWHNHZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.42
Rot. Bonds6

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

2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide (PubChem CID 4013372) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide
PubChem CID4013372
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)c1
InChIInChI=1S/C19H15N3O2S2/c1-24-15-5-2-4-14(10-15)21-18(23)12-26-19-13(11-20)7-8-16(22-19)17-6-3-9-25-17/h2-10H,12H2,1H3,(H,21,23)
InChIKeyFMPHJGWYPWHNHZ-UHFFFAOYSA-N
XLogP4.42
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 43812559
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 43812140
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1240644
N-(3-methoxyphenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858239
3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 23746060
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 33227599
N-(3-methoxyphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190352
2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 45032041
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 5058447
N-(3-methoxyphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16612763
ethyl 3-[[2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzoate
CID 44615734
N-(3-methoxyphenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide
CID 50801208

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide (CID 4013372) is 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)c1.
What is the InChIKey of 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is FMPHJGWYPWHNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-24-15-5-2-4-14(10-15)21-18(23)12-26-19-13(11-20)7-8-16(22-19)17-6-3-9-25-17/h2-10H,12H2,1H3,(H,21,23).
What are the key properties of 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide?
2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 4013372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).