N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide

C15H16F5NOS — CID 7467421

IUPACN-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
SMILESO=C(CSc1c(F)c(F)c(F)c(F)c1F)NC1CCCCCC1
InChIInChI=1S/C15H16F5NOS/c16-10-11(17)13(19)15(14(20)12(10)18)23-7-9(22)21-8-5-3-1-2-4-6-8/h8H,1-7H2,(H,21,22)
InChIKeyRMIRDVHJENOJNY-UHFFFAOYSA-N
MW353.36 g/mol
LogP4.31
Rot. Bonds4

About N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide

N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide (PubChem CID 7467421) has the molecular formula C15H16F5NOS and a molecular weight of 353.36 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
PubChem CID7467421
Molecular FormulaC15H16F5NOS
Molecular Weight353.36 g/mol
Exact Mass353.09
IUPAC NameN-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
SMILESO=C(CSc1c(F)c(F)c(F)c(F)c1F)NC1CCCCCC1
InChIInChI=1S/C15H16F5NOS/c16-10-11(17)13(19)15(14(20)12(10)18)23-7-9(22)21-8-5-3-1-2-4-6-8/h8H,1-7H2,(H,21,22)
InChIKeyRMIRDVHJENOJNY-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 607051
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N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
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N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide
CID 43304756
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 17402396
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
The IUPAC name of N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide (CID 7467421) is N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
The canonical SMILES for N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide is O=C(CSc1c(F)c(F)c(F)c(F)c1F)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
The InChIKey is RMIRDVHJENOJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F5NOS/c16-10-11(17)13(19)15(14(20)12(10)18)23-7-9(22)21-8-5-3-1-2-4-6-8/h8H,1-7H2,(H,21,22).
What are the key properties of N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide?
N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide has a molecular weight of 353.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7467421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).