2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

C23H29ClN2OS2 — CID 54162061

IUPAC2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCN(CCc1ccccn1)C(=O)CS[C@@H]1CCCC[C@H]1SCc1ccccc1Cl
InChIInChI=1S/C23H29ClN2OS2/c1-26(15-13-19-9-6-7-14-25-19)23(27)17-29-22-12-5-4-11-21(22)28-16-18-8-2-3-10-20(18)24/h2-3,6-10,14,21-22H,4-5,11-13,15-17H2,1H3/t21-,22-/m1/s1
InChIKeyOPCIDSGPOSKNKO-FGZHOGPDSA-N
MW449.09 g/mol
LogP5.71
Rot. Bonds9

About 2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 54162061) has the molecular formula C23H29ClN2OS2 and a molecular weight of 449.09 g/mol. Its IUPAC name is 2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID54162061
Molecular FormulaC23H29ClN2OS2
Molecular Weight449.09 g/mol
Exact Mass448.14
IUPAC Name2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCN(CCc1ccccn1)C(=O)CS[C@@H]1CCCC[C@H]1SCc1ccccc1Cl
InChIInChI=1S/C23H29ClN2OS2/c1-26(15-13-19-9-6-7-14-25-19)23(27)17-29-22-12-5-4-11-21(22)28-16-18-8-2-3-10-20(18)24/h2-3,6-10,14,21-22H,4-5,11-13,15-17H2,1H3/t21-,22-/m1/s1
InChIKeyOPCIDSGPOSKNKO-FGZHOGPDSA-N
XLogP5.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.09
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (CID 54162061) is 2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is CN(CCc1ccccn1)C(=O)CS[C@@H]1CCCC[C@H]1SCc1ccccc1Cl.
What is the InChIKey of 2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is OPCIDSGPOSKNKO-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H29ClN2OS2/c1-26(15-13-19-9-6-7-14-25-19)23(27)17-29-22-12-5-4-11-21(22)28-16-18-8-2-3-10-20(18)24/h2-3,6-10,14,21-22H,4-5,11-13,15-17H2,1H3/t21-,22-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 449.09 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-[(2-chlorophenyl)methylsulfanyl]cyclohexyl]sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 54162061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).