(2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide

C15H19F2NOS — CID 7737143

IUPAC(2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(F)c(F)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H19F2NOS/c1-10(15(19)18-11-5-3-2-4-6-11)20-12-7-8-13(16)14(17)9-12/h7-11H,2-6H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyZWJPTOSQDMAVLF-SNVBAGLBSA-N
MW299.39 g/mol
LogP3.89
Rot. Bonds4

About (2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide

(2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide (PubChem CID 7737143) has the molecular formula C15H19F2NOS and a molecular weight of 299.39 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide
PubChem CID7737143
Molecular FormulaC15H19F2NOS
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name(2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(F)c(F)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H19F2NOS/c1-10(15(19)18-11-5-3-2-4-6-11)20-12-7-8-13(16)14(17)9-12/h7-11H,2-6H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyZWJPTOSQDMAVLF-SNVBAGLBSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4449807
N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
CID 4339369
N-cyclopentyl-3-phenylthiopropanamide
CID 875577
N-cyclooctyl-2-phenylsulfanylacetamide
CID 894989
N-cyclohexyl-2-(phenylsulfonyl)acetamide
CID 1264349
N-cycloheptyl-2-(phenylsulfanyl)acetamide
CID 2915329
N-cyclohexyl-3-(phenylsulfonyl)propanamide
CID 6458857
N-cyclopentyl-3-(phenylsulfonyl)propanamide
CID 6459253
N-cyclohexyl-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 893674
N-cycloheptyl-3-(phenylthio)propanamide
CID 895824
2-[(4-fluorophenyl)sulfanyl]-N-[2-(phenylsulfanyl)ethyl]acetamide
CID 2765499

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide (CID 7737143) is (2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide is C[C@@H](Sc1ccc(F)c(F)c1)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide?
The InChIKey is ZWJPTOSQDMAVLF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19F2NOS/c1-10(15(19)18-11-5-3-2-4-6-11)20-12-7-8-13(16)14(17)9-12/h7-11H,2-6H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide?
(2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide has a molecular weight of 299.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(3,4-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7737143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).