2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide

C22H22ClN3O3S — CID 164905220

IUPAC2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
SMILESN#Cc1ccc(CN(CC(=O)N2CCOCC2)C(=O)CSc2ccccc2Cl)cc1
InChIInChI=1S/C22H22ClN3O3S/c23-19-3-1-2-4-20(19)30-16-22(28)26(14-18-7-5-17(13-24)6-8-18)15-21(27)25-9-11-29-12-10-25/h1-8H,9-12,14-16H2
InChIKeyJYFAICHMTDKFGJ-UHFFFAOYSA-N
MW443.96 g/mol
LogP3.19
Rot. Bonds7

About 2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide (PubChem CID 164905220) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
PubChem CID164905220
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
SMILESN#Cc1ccc(CN(CC(=O)N2CCOCC2)C(=O)CSc2ccccc2Cl)cc1
InChIInChI=1S/C22H22ClN3O3S/c23-19-3-1-2-4-20(19)30-16-22(28)26(14-18-7-5-17(13-24)6-8-18)15-21(27)25-9-11-29-12-10-25/h1-8H,9-12,14-16H2
InChIKeyJYFAICHMTDKFGJ-UHFFFAOYSA-N
XLogP3.19
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide (CID 164905220) is 2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide is N#Cc1ccc(CN(CC(=O)N2CCOCC2)C(=O)CSc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide?
The InChIKey is JYFAICHMTDKFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c23-19-3-1-2-4-20(19)30-16-22(28)26(14-18-7-5-17(13-24)6-8-18)15-21(27)25-9-11-29-12-10-25/h1-8H,9-12,14-16H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide has a molecular weight of 443.96 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide is sourced from PubChem (CID 164905220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).