4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide

C27H21FN2O3S — CID 18904222

IUPAC4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1cccc(NC(=O)c2ccc(F)cc2)c1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H21FN2O3S/c28-20-11-9-19(10-12-20)27(32)30-22-5-4-8-25(17-22)34-18-26(31)29-21-13-15-24(16-14-21)33-23-6-2-1-3-7-23/h1-17H,18H2,(H,29,31)(H,30,32)
InChIKeyCVIVHHHTUOLLLV-UHFFFAOYSA-N
MW472.54 g/mol
LogP6.60
Rot. Bonds8

About 4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide

4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide (PubChem CID 18904222) has the molecular formula C27H21FN2O3S and a molecular weight of 472.54 g/mol. Its IUPAC name is 4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
PubChem CID18904222
Molecular FormulaC27H21FN2O3S
Molecular Weight472.54 g/mol
Exact Mass472.13
IUPAC Name4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1cccc(NC(=O)c2ccc(F)cc2)c1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H21FN2O3S/c28-20-11-9-19(10-12-20)27(32)30-22-5-4-8-25(17-22)34-18-26(31)29-21-13-15-24(16-14-21)33-23-6-2-1-3-7-23/h1-17H,18H2,(H,29,31)(H,30,32)
InChIKeyCVIVHHHTUOLLLV-UHFFFAOYSA-N
XLogP6.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]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

4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913097
4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299599
N-[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905079
4-[[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 18903938
3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
CID 23098901
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-[(Z)-1-(4-fluorophenyl)-3-[3-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19310605
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902730
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-nitrobenzamide
CID 18905322
N-[3-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18903647
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide (CID 18904222) is 4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide is O=C(CSc1cccc(NC(=O)c2ccc(F)cc2)c1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide?
The InChIKey is CVIVHHHTUOLLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O3S/c28-20-11-9-19(10-12-20)27(32)30-22-5-4-8-25(17-22)34-18-26(31)29-21-13-15-24(16-14-21)33-23-6-2-1-3-7-23/h1-17H,18H2,(H,29,31)(H,30,32).
What are the key properties of 4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide?
4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide has a molecular weight of 472.54 g/mol, XLogP of 6.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18904222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).