2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide

C20H23N3O3S2 — CID 8967401

IUPAC2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CSCc2ccccc2C#N)c1
InChIInChI=1S/C20H23N3O3S2/c1-3-23(4-2)28(25,26)19-11-7-10-18(12-19)22-20(24)15-27-14-17-9-6-5-8-16(17)13-21/h5-12H,3-4,14-15H2,1-2H3,(H,22,24)
InChIKeyRUQLJIIOPFQRKA-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.46
Rot. Bonds9

About 2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide

2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 8967401) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
PubChem CID8967401
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CSCc2ccccc2C#N)c1
InChIInChI=1S/C20H23N3O3S2/c1-3-23(4-2)28(25,26)19-11-7-10-18(12-19)22-20(24)15-27-14-17-9-6-5-8-16(17)13-21/h5-12H,3-4,14-15H2,1-2H3,(H,22,24)
InChIKeyRUQLJIIOPFQRKA-UHFFFAOYSA-N
XLogP3.46
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-cyanophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8967393
N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967300
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(diethylsulfamoyl)benzamide
CID 24548866
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 26252162
N-(4-bromo-3-methylphenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967245
2-(2-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 7950472
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8967856
2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 52586973
N-[(2R)-butan-2-yl]-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967589
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
CID 9269727
2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8967517

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide (CID 8967401) is 2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSCc2ccccc2C#N)c1.
What is the InChIKey of 2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is RUQLJIIOPFQRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-3-23(4-2)28(25,26)19-11-7-10-18(12-19)22-20(24)15-27-14-17-9-6-5-8-16(17)13-21/h5-12H,3-4,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide?
2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 417.56 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 8967401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).