N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide

C17H17FN2O2S — CID 78810399

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide
SMILESNC(=O)CSc1ccccc1NC(=O)CCc1ccccc1F
InChIInChI=1S/C17H17FN2O2S/c18-13-6-2-1-5-12(13)9-10-17(22)20-14-7-3-4-8-15(14)23-11-16(19)21/h1-8H,9-11H2,(H2,19,21)(H,20,22)
InChIKeyTXAKCXSSVARHTO-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.97
Rot. Bonds7

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide (PubChem CID 78810399) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide
PubChem CID78810399
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide
SMILESNC(=O)CSc1ccccc1NC(=O)CCc1ccccc1F
InChIInChI=1S/C17H17FN2O2S/c18-13-6-2-1-5-12(13)9-10-17(22)20-14-7-3-4-8-15(14)23-11-16(19)21/h1-8H,9-11H2,(H2,19,21)(H,20,22)
InChIKeyTXAKCXSSVARHTO-UHFFFAOYSA-N
XLogP2.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide
CID 55388712
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(methylamino)butanamide
CID 54925110
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
CID 46421409
N-(2-chlorophenyl)-3-(2-fluorophenyl)propanamide
CID 9401009
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
N-(2-benzylphenyl)-3-(2-fluorophenyl)propanamide
CID 9397387
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 78810130
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide
CID 78810118
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
4-amino-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methylbutanamide
CID 80543338
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide (CID 78810399) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide is NC(=O)CSc1ccccc1NC(=O)CCc1ccccc1F.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is TXAKCXSSVARHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c18-13-6-2-1-5-12(13)9-10-17(22)20-14-7-3-4-8-15(14)23-11-16(19)21/h1-8H,9-11H2,(H2,19,21)(H,20,22).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 332.40 g/mol, XLogP of 2.97, 7 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-(2-fluorophenyl)propanamide is sourced from PubChem (CID 78810399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).