2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide

C14H19ClN2O2S — CID 46992115

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccccc1Cl)NCC1CNCCO1
InChIInChI=1S/C14H19ClN2O2S/c15-13-4-2-1-3-11(13)9-20-10-14(18)17-8-12-7-16-5-6-19-12/h1-4,12,16H,5-10H2,(H,17,18)
InChIKeySBQLKGDJEPLCCN-UHFFFAOYSA-N
MW314.84 g/mol
LogP1.68
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide (PubChem CID 46992115) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide
PubChem CID46992115
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccccc1Cl)NCC1CNCCO1
InChIInChI=1S/C14H19ClN2O2S/c15-13-4-2-1-3-11(13)9-20-10-14(18)17-8-12-7-16-5-6-19-12/h1-4,12,16H,5-10H2,(H,17,18)
InChIKeySBQLKGDJEPLCCN-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide (CID 46992115) is 2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide is O=C(CSCc1ccccc1Cl)NCC1CNCCO1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide?
The InChIKey is SBQLKGDJEPLCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c15-13-4-2-1-3-11(13)9-20-10-14(18)17-8-12-7-16-5-6-19-12/h1-4,12,16H,5-10H2,(H,17,18).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide has a molecular weight of 314.84 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-(morpholin-2-ylmethyl)acetamide is sourced from PubChem (CID 46992115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).