N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide

C19H21F2NO3S — CID 42948515

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide
SMILESCc1ccc(C)c(CS(=O)(=O)CC(=O)NC(C)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H21F2NO3S/c1-12-4-5-13(2)15(8-12)10-26(24,25)11-19(23)22-14(3)17-7-6-16(20)9-18(17)21/h4-9,14H,10-11H2,1-3H3,(H,22,23)
InChIKeyRPKYRGLHSXTCBA-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.37
Rot. Bonds6

About N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide

N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide (PubChem CID 42948515) has the molecular formula C19H21F2NO3S and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide
PubChem CID42948515
Molecular FormulaC19H21F2NO3S
Molecular Weight381.44 g/mol
Exact Mass381.12
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide
SMILESCc1ccc(C)c(CS(=O)(=O)CC(=O)NC(C)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H21F2NO3S/c1-12-4-5-13(2)15(8-12)10-26(24,25)11-19(23)22-14(3)17-7-6-16(20)9-18(17)21/h4-9,14H,10-11H2,1-3H3,(H,22,23)
InChIKeyRPKYRGLHSXTCBA-UHFFFAOYSA-N
XLogP3.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide (CID 42948515) is N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide is Cc1ccc(C)c(CS(=O)(=O)CC(=O)NC(C)c2ccc(F)cc2F)c1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide?
The InChIKey is RPKYRGLHSXTCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3S/c1-12-4-5-13(2)15(8-12)10-26(24,25)11-19(23)22-14(3)17-7-6-16(20)9-18(17)21/h4-9,14H,10-11H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 42948515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).