N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide

C20H22N2O2S — CID 3782612

IUPACN,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSC1c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-3-21(4-2)18(23)14-25-20-17-13-9-8-12-16(17)19(24)22(20)15-10-6-5-7-11-15/h5-13,20H,3-4,14H2,1-2H3
InChIKeyKRXIZDBXQMZAJT-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.95
Rot. Bonds6

About N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide

N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide (PubChem CID 3782612) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide
PubChem CID3782612
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSC1c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-3-21(4-2)18(23)14-25-20-17-13-9-8-12-16(17)19(24)22(20)15-10-6-5-7-11-15/h5-13,20H,3-4,14H2,1-2H3
InChIKeyKRXIZDBXQMZAJT-UHFFFAOYSA-N
XLogP3.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide (CID 3782612) is N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSC1c2ccccc2C(=O)N1c1ccccc1.
What is the InChIKey of N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide?
The InChIKey is KRXIZDBXQMZAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-21(4-2)18(23)14-25-20-17-13-9-8-12-16(17)19(24)22(20)15-10-6-5-7-11-15/h5-13,20H,3-4,14H2,1-2H3.
What are the key properties of N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide has a molecular weight of 354.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide is sourced from PubChem (CID 3782612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).