2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide

C15H13N3O2S2 — CID 2536646

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C15H13N3O2S2/c1-10(19)17-12-2-4-13(5-3-12)22-9-14(20)18-15-11(8-16)6-7-21-15/h2-7H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyFHZKLBVKONDVNU-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.31
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 2536646) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID2536646
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C15H13N3O2S2/c1-10(19)17-12-2-4-13(5-3-12)22-9-14(20)18-15-11(8-16)6-7-21-15/h2-7H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyFHZKLBVKONDVNU-UHFFFAOYSA-N
XLogP3.31
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide (CID 2536646) is 2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is FHZKLBVKONDVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-10(19)17-12-2-4-13(5-3-12)22-9-14(20)18-15-11(8-16)6-7-21-15/h2-7H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 2536646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).