2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide

C21H18F2N2OS — CID 16576531

IUPAC2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CNc1ccccc1SCc1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H18F2N2OS/c22-16-10-11-18(17(23)12-16)25-21(26)13-24-19-8-4-5-9-20(19)27-14-15-6-2-1-3-7-15/h1-12,24H,13-14H2,(H,25,26)
InChIKeyBXAPGGLRPWQQEN-UHFFFAOYSA-N
MW384.45 g/mol
LogP5.31
Rot. Bonds7

About 2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide

2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide (PubChem CID 16576531) has the molecular formula C21H18F2N2OS and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide
PubChem CID16576531
Molecular FormulaC21H18F2N2OS
Molecular Weight384.45 g/mol
Exact Mass384.11
IUPAC Name2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CNc1ccccc1SCc1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H18F2N2OS/c22-16-10-11-18(17(23)12-16)25-21(26)13-24-19-8-4-5-9-20(19)27-14-15-6-2-1-3-7-15/h1-12,24H,13-14H2,(H,25,26)
InChIKeyBXAPGGLRPWQQEN-UHFFFAOYSA-N
XLogP5.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 37220850
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011065
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 100574546
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404
N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9045802
N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide
CID 9099681
2-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 109010754
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
N-(2,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004326
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263881
[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684101

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide (CID 16576531) is 2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide is O=C(CNc1ccccc1SCc1ccccc1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is BXAPGGLRPWQQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2OS/c22-16-10-11-18(17(23)12-16)25-21(26)13-24-19-8-4-5-9-20(19)27-14-15-6-2-1-3-7-15/h1-12,24H,13-14H2,(H,25,26).
What are the key properties of 2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide?
2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 384.45 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 16576531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).