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

C19H15N3O2S2 — CID 1266313

IUPAC2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)cc1
InChIInChI=1S/C19H15N3O2S2/c1-24-15-7-5-14(6-8-15)21-18(23)12-26-19-13(11-20)4-9-16(22-19)17-3-2-10-25-17/h2-10H,12H2,1H3,(H,21,23)
InChIKeyYSWFCNXABGWOBR-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.42
Rot. Bonds6

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

2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 1266313) 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-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
PubChem CID1266313
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)cc1
InChIInChI=1S/C19H15N3O2S2/c1-24-15-7-5-14(6-8-15)21-18(23)12-26-19-13(11-20)4-9-16(22-19)17-3-2-10-25-17/h2-10H,12H2,1H3,(H,21,23)
InChIKeyYSWFCNXABGWOBR-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

CID 3116122
CID 3116122
CID 1115820
CID 1115820
CID 1086288
CID 1086288
CID 3330912
CID 3330912
CID 3725176
CID 3725176
CID 644695
CID 644695
CID 645967
CID 645967
CID 890011
CID 890011
CID 1004498
CID 1004498
CID 1004501
CID 1004501
CID 1005047
CID 1005047
CID 1023309
CID 1023309

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide (CID 1266313) is 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)cc1.
What is the InChIKey of 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is YSWFCNXABGWOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-24-15-7-5-14(6-8-15)21-18(23)12-26-19-13(11-20)4-9-16(22-19)17-3-2-10-25-17/h2-10H,12H2,1H3,(H,21,23).
What are the key properties of 2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1266313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).