2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

C16H15N3O2S2 — CID 24982321

IUPAC2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C16H15N3O2S2/c1-11-2-4-13(5-3-11)18-14(20)9-22-10-15(21)19-16-12(8-17)6-7-23-16/h2-7H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyUQLSIRSJDDADCB-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.24
Rot. Bonds6

About 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 24982321) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID24982321
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2sccc2C#N)cc1
InChIInChI=1S/C16H15N3O2S2/c1-11-2-4-13(5-3-11)18-14(20)9-22-10-15(21)19-16-12(8-17)6-7-23-16/h2-7H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyUQLSIRSJDDADCB-UHFFFAOYSA-N
XLogP3.24
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (CID 24982321) is 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCC(=O)Nc2sccc2C#N)cc1.
What is the InChIKey of 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is UQLSIRSJDDADCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-11-2-4-13(5-3-11)18-14(20)9-22-10-15(21)19-16-12(8-17)6-7-23-16/h2-7H,9-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 345.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 24982321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).