N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide

C18H18F2N2O2S — CID 175805095

IUPACN-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide
SMILESCCSCCC(=O)Nc1c(F)ccc(NC(=O)c2ccccc2)c1F
InChIInChI=1S/C18H18F2N2O2S/c1-2-25-11-10-15(23)22-17-13(19)8-9-14(16(17)20)21-18(24)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyVDCVZAKPPNJLPZ-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.30
Rot. Bonds7

About N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide

N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide (PubChem CID 175805095) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide.

Molecular Properties

Compound NameN-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide
PubChem CID175805095
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide
SMILESCCSCCC(=O)Nc1c(F)ccc(NC(=O)c2ccccc2)c1F
InChIInChI=1S/C18H18F2N2O2S/c1-2-25-11-10-15(23)22-17-13(19)8-9-14(16(17)20)21-18(24)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyVDCVZAKPPNJLPZ-UHFFFAOYSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2,4-difluoro-3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 175986307
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
4-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
3-benzamido-2,6-difluorobenzamide
CID 152765768
N-(2,3-difluorophenyl)benzamide
CID 139202270
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
N-(3-tert-butyl-2-fluoro-4-methylphenyl)benzamide
CID 170149203
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide
CID 174970180
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide
CID 174970141
N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide
CID 174970231

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide?
The IUPAC name of N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide (CID 175805095) is N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide.
What is the SMILES notation for N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide?
The canonical SMILES for N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide is CCSCCC(=O)Nc1c(F)ccc(NC(=O)c2ccccc2)c1F.
What is the InChIKey of N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide?
The InChIKey is VDCVZAKPPNJLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-2-25-11-10-15(23)22-17-13(19)8-9-14(16(17)20)21-18(24)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide?
N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide has a molecular weight of 364.42 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethylsulfanylpropanoylamino)-2,4-difluorophenyl]benzamide is sourced from PubChem (CID 175805095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).