2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C14H17ClFNO2S — CID 2302056

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NC[C@H]1CCCO1
InChIInChI=1S/C14H17ClFNO2S/c15-12-4-1-5-13(16)11(12)8-20-9-14(18)17-7-10-3-2-6-19-10/h1,4-5,10H,2-3,6-9H2,(H,17,18)/t10-/m1/s1
InChIKeyFVRVSMNDTATKHV-SNVBAGLBSA-N
MW317.81 g/mol
LogP3.01
Rot. Bonds6

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 2302056) has the molecular formula C14H17ClFNO2S and a molecular weight of 317.81 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID2302056
Molecular FormulaC14H17ClFNO2S
Molecular Weight317.81 g/mol
Exact Mass317.07
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NC[C@H]1CCCO1
InChIInChI=1S/C14H17ClFNO2S/c15-12-4-1-5-13(16)11(12)8-20-9-14(18)17-7-10-3-2-6-19-10/h1,4-5,10H,2-3,6-9H2,(H,17,18)/t10-/m1/s1
InChIKeyFVRVSMNDTATKHV-SNVBAGLBSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)acetamide
CID 2217851
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2947787
2-[(4-chlorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2896894
2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 2963110
3-[(2-fluorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 4524432
3-(2-chlorophenyl)-N-(tetrahydro-2-furanylmethyl)acrylamide
CID 5340098
2-(2-Chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 72717983
2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide
CID 86265233
3-[(2-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5054990
3-[(4-chlorophenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5058062

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 2302056) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(CSCc1c(F)cccc1Cl)NC[C@H]1CCCO1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is FVRVSMNDTATKHV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClFNO2S/c15-12-4-1-5-13(16)11(12)8-20-9-14(18)17-7-10-3-2-6-19-10/h1,4-5,10H,2-3,6-9H2,(H,17,18)/t10-/m1/s1.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 317.81 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 2302056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).