2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide

C25H19FN2O2S — CID 22779257

IUPAC2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2ccccc2F)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H19FN2O2S/c26-23-8-4-3-7-22(23)25(30)28-19-11-13-21(14-12-19)31-16-24(29)27-20-10-9-17-5-1-2-6-18(17)15-20/h1-15H,16H2,(H,27,29)(H,28,30)
InChIKeySTOMJQNGWMADTR-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.96
Rot. Bonds6

About 2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide

2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 22779257) has the molecular formula C25H19FN2O2S and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID22779257
Molecular FormulaC25H19FN2O2S
Molecular Weight430.50 g/mol
Exact Mass430.12
IUPAC Name2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2ccccc2F)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H19FN2O2S/c26-23-8-4-3-7-22(23)25(30)28-19-11-13-21(14-12-19)31-16-24(29)27-20-10-9-17-5-1-2-6-18(17)15-20/h1-15H,16H2,(H,27,29)(H,28,30)
InChIKeySTOMJQNGWMADTR-UHFFFAOYSA-N
XLogP5.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
4-[[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 18903938
N-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 23097520
N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 22775332
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786345
4-chloro-3-[[2-[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 23095254
3-[[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 18903939
2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18902188
N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18903952
2-fluoro-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18899724
(E)-4-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22786135

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide (CID 22779257) is 2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide is O=C(CSc1ccc(NC(=O)c2ccccc2F)cc1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is STOMJQNGWMADTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O2S/c26-23-8-4-3-7-22(23)25(30)28-19-11-13-21(14-12-19)31-16-24(29)27-20-10-9-17-5-1-2-6-18(17)15-20/h1-15H,16H2,(H,27,29)(H,28,30).
What are the key properties of 2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide?
2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 430.50 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 22779257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).