N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide

C21H17FN2O2S — CID 19629488

IUPACN-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide
SMILESO=C(CSc1ccc(NC(=O)c2ccc(F)cc2)cc1)Nc1ccccc1
InChIInChI=1S/C21H17FN2O2S/c22-16-8-6-15(7-9-16)21(26)24-18-10-12-19(13-11-18)27-14-20(25)23-17-4-2-1-3-5-17/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyVUIQHKVHFAYCEY-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.81
Rot. Bonds6

About N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide

N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide (PubChem CID 19629488) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide
PubChem CID19629488
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC NameN-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide
SMILESO=C(CSc1ccc(NC(=O)c2ccc(F)cc2)cc1)Nc1ccccc1
InChIInChI=1S/C21H17FN2O2S/c22-16-8-6-15(7-9-16)21(26)24-18-10-12-19(13-11-18)27-14-20(25)23-17-4-2-1-3-5-17/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKeyVUIQHKVHFAYCEY-UHFFFAOYSA-N
XLogP4.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide (CID 19629488) is N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide is O=C(CSc1ccc(NC(=O)c2ccc(F)cc2)cc1)Nc1ccccc1.
What is the InChIKey of N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide?
The InChIKey is VUIQHKVHFAYCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c22-16-8-6-15(7-9-16)21(26)24-18-10-12-19(13-11-18)27-14-20(25)23-17-4-2-1-3-5-17/h1-13H,14H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide?
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide has a molecular weight of 380.44 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide is sourced from PubChem (CID 19629488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).