2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

C18H18F2N2O2S — CID 24651837

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Sc2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C18H18F2N2O2S/c1-10-4-7-16(11(2)8-10)21-18(24)22-17(23)12(3)25-13-5-6-14(19)15(20)9-13/h4-9,12H,1-3H3,(H2,21,22,23,24)
InChIKeyAHMATFZMIYSYRV-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.41
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide (PubChem CID 24651837) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
PubChem CID24651837
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Sc2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C18H18F2N2O2S/c1-10-4-7-16(11(2)8-10)21-18(24)22-17(23)12(3)25-13-5-6-14(19)15(20)9-13/h4-9,12H,1-3H3,(H2,21,22,23,24)
InChIKeyAHMATFZMIYSYRV-UHFFFAOYSA-N
XLogP4.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737186
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737187
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 112815810
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 25332600
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 43046729
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9142211
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43906041
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
(2R)-N-(1-adamantylcarbamoyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055729

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide (CID 24651837) is 2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide is Cc1ccc(NC(=O)NC(=O)C(C)Sc2ccc(F)c(F)c2)c(C)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
The InChIKey is AHMATFZMIYSYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-10-4-7-16(11(2)8-10)21-18(24)22-17(23)12(3)25-13-5-6-14(19)15(20)9-13/h4-9,12H,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide has a molecular weight of 364.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide is sourced from PubChem (CID 24651837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).