2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide

C16H15ClF2N2O2S — CID 55496934

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1ncccc1Cl
InChIInChI=1S/C16H15ClF2N2O2S/c1-21(9-11-4-6-12(7-5-11)23-16(18)19)14(22)10-24-15-13(17)3-2-8-20-15/h2-8,16H,9-10H2,1H3
InChIKeyKZLDCJUDTIHSCW-UHFFFAOYSA-N
MW372.82 g/mol
LogP4.09
Rot. Bonds7

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide (PubChem CID 55496934) has the molecular formula C16H15ClF2N2O2S and a molecular weight of 372.82 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
PubChem CID55496934
Molecular FormulaC16H15ClF2N2O2S
Molecular Weight372.82 g/mol
Exact Mass372.05
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1ncccc1Cl
InChIInChI=1S/C16H15ClF2N2O2S/c1-21(9-11-4-6-12(7-5-11)23-16(18)19)14(22)10-24-15-13(17)3-2-8-20-15/h2-8,16H,9-10H2,1H3
InChIKeyKZLDCJUDTIHSCW-UHFFFAOYSA-N
XLogP4.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide (CID 55496934) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
The InChIKey is KZLDCJUDTIHSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O2S/c1-21(9-11-4-6-12(7-5-11)23-16(18)19)14(22)10-24-15-13(17)3-2-8-20-15/h2-8,16H,9-10H2,1H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide has a molecular weight of 372.82 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 55496934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).