N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide

C15H12F2N2O2S — CID 78810118

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide
SMILESNC(=O)CSc1ccccc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12F2N2O2S/c16-10-6-5-9(7-11(10)17)15(21)19-12-3-1-2-4-13(12)22-8-14(18)20/h1-7H,8H2,(H2,18,20)(H,19,21)
InChIKeyASHUJSPSZUSAGB-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide (PubChem CID 78810118) has the molecular formula C15H12F2N2O2S and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide
PubChem CID78810118
Molecular FormulaC15H12F2N2O2S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide
SMILESNC(=O)CSc1ccccc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12F2N2O2S/c16-10-6-5-9(7-11(10)17)15(21)19-12-3-1-2-4-13(12)22-8-14(18)20/h1-7H,8H2,(H2,18,20)(H,19,21)
InChIKeyASHUJSPSZUSAGB-UHFFFAOYSA-N
XLogP2.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide
CID 7670731
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1,3-benzodioxole-5-carboxamide
CID 46636704
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-cyanobenzamide
CID 8009499
N-(2-carbamothioylphenyl)-3,4-difluorobenzamide
CID 24701990
3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61498076
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide
CID 78810399
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
tert-butyl N-[[4-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]phenyl]methyl]carbamate
CID 46636864
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide
CID 17449163
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 17424931

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide (CID 78810118) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide is NC(=O)CSc1ccccc1NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide?
The InChIKey is ASHUJSPSZUSAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2S/c16-10-6-5-9(7-11(10)17)15(21)19-12-3-1-2-4-13(12)22-8-14(18)20/h1-7H,8H2,(H2,18,20)(H,19,21).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide has a molecular weight of 322.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 78810118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).