N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide

C17H16ClF2NOS — CID 55586443

IUPACN-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF2NOS/c1-2-21(10-12-5-3-4-6-14(12)18)17(22)11-23-13-7-8-15(19)16(20)9-13/h3-9H,2,10-11H2,1H3
InChIKeyXFWAPCAAKLFNQL-UHFFFAOYSA-N
MW355.84 g/mol
LogP4.76
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide

N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide (PubChem CID 55586443) has the molecular formula C17H16ClF2NOS and a molecular weight of 355.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide
PubChem CID55586443
Molecular FormulaC17H16ClF2NOS
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF2NOS/c1-2-21(10-12-5-3-4-6-14(12)18)17(22)11-23-13-7-8-15(19)16(20)9-13/h3-9H,2,10-11H2,1H3
InChIKeyXFWAPCAAKLFNQL-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide (CID 55586443) is N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide is CCN(Cc1ccccc1Cl)C(=O)CSc1ccc(F)c(F)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide?
The InChIKey is XFWAPCAAKLFNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NOS/c1-2-21(10-12-5-3-4-6-14(12)18)17(22)11-23-13-7-8-15(19)16(20)9-13/h3-9H,2,10-11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide?
N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide has a molecular weight of 355.84 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanyl-N-ethylacetamide is sourced from PubChem (CID 55586443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).