2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide

C20H21N3O2S — CID 2086771

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-15-4-8-18(9-5-15)23(13-3-12-21)20(25)14-26-19-10-6-17(7-11-19)22-16(2)24/h4-11H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyCDBNBJUUIFAKTR-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.99
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide (PubChem CID 2086771) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
PubChem CID2086771
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-15-4-8-18(9-5-15)23(13-3-12-21)20(25)14-26-19-10-6-17(7-11-19)22-16(2)24/h4-11H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyCDBNBJUUIFAKTR-UHFFFAOYSA-N
XLogP3.99
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide (CID 2086771) is 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide is CC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
The InChIKey is CDBNBJUUIFAKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15-4-8-18(9-5-15)23(13-3-12-21)20(25)14-26-19-10-6-17(7-11-19)22-16(2)24/h4-11H,3,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2086771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).