2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide

C14H18ClNO2S — CID 2896894

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C14H18ClNO2S/c15-12-5-3-11(4-6-12)9-19-10-14(17)16-8-13-2-1-7-18-13/h3-6,13H,1-2,7-10H2,(H,16,17)
InChIKeyBCBLJTKXSVUQGN-UHFFFAOYSA-N
MW299.82 g/mol
LogP2.87
Rot. Bonds6

About 2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2896894) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2896894
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C14H18ClNO2S/c15-12-5-3-11(4-6-12)9-19-10-14(17)16-8-13-2-1-7-18-13/h3-6,13H,1-2,7-10H2,(H,16,17)
InChIKeyBCBLJTKXSVUQGN-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]tetrahydrofuran-2-carboxamide
CID 2970803
2-(4-chlorophenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 2899214
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2969276
2-[(4-methylphenyl)sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 3144141
2-(4-chlorophenylthio)-N-(oxolan-2-ylmethyl)propanamide
CID 2899744
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2947787
2-(benzylsulfonyl)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2952397
3-benzylsulfonyl-N-(oxolan-2-ylmethyl)propanamide
CID 2974815
3-(2-chlorophenyl)-N-(tetrahydro-2-furanylmethyl)acrylamide
CID 5340098
3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5054990
3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5058062
2-[(2-chlorobenzyl)thio]-N-(morpholin-2-ylmethyl)acetamide
CID 46992115

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide (CID 2896894) is 2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CSCc1ccc(Cl)cc1)NCC1CCCO1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is BCBLJTKXSVUQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c15-12-5-3-11(4-6-12)9-19-10-14(17)16-8-13-2-1-7-18-13/h3-6,13H,1-2,7-10H2,(H,16,17).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 299.82 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2896894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).