3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide

C22H18ClFN2O2S — CID 5143373

IUPAC3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccccc2Cl)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C22H18ClFN2O2S/c1-14(27)26-20-12-15(22(28)25-13-16-4-2-3-5-19(16)23)6-11-21(20)29-18-9-7-17(24)8-10-18/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyARTZBTAJGMXQLR-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.52
Rot. Bonds6

About 3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide

3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide (PubChem CID 5143373) has the molecular formula C22H18ClFN2O2S and a molecular weight of 428.92 g/mol. Its IUPAC name is 3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
PubChem CID5143373
Molecular FormulaC22H18ClFN2O2S
Molecular Weight428.92 g/mol
Exact Mass428.08
IUPAC Name3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccccc2Cl)ccc1Sc1ccc(F)cc1
InChIInChI=1S/C22H18ClFN2O2S/c1-14(27)26-20-12-15(22(28)25-13-16-4-2-3-5-19(16)23)6-11-21(20)29-18-9-7-17(24)8-10-18/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyARTZBTAJGMXQLR-UHFFFAOYSA-N
XLogP5.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide 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

Dibenzothiazepine, 12e
CID 16049170
Dibenzo[b,f][1,4]thiazepine-8-carboxamide, N-butyl-11-(3-chloro-4-fluorophenyl)-
CID 42596959
Dibenzothiazepine, 12g
CID 42617996
N-(5-chloro-2-(2-((dimethylamino)methyl)phenylthio)phenyl)-4-fluorobenzamide
CID 44580186
N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 47080184
N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2460170
N-butyl-10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
CID 4668743
N-(4-chlorophenyl)-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 5082268
4-[(2-Chloro-6-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 3369827
10-ethyl-N~8~-(4-fluorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
CID 16007820
N-(3-Chlorobenzyl)-11-(4-fluorophenyl)-dibenzo[b,f][1,4]thiazepine-8-carboxamide
CID 44591625
6-(3-chlorophenyl)-N-(2-methylpropyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 44591626

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide?
The IUPAC name of 3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide (CID 5143373) is 3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide.
What is the SMILES notation for 3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide?
The canonical SMILES for 3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide is CC(=O)Nc1cc(C(=O)NCc2ccccc2Cl)ccc1Sc1ccc(F)cc1.
What is the InChIKey of 3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide?
The InChIKey is ARTZBTAJGMXQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2S/c1-14(27)26-20-12-15(22(28)25-13-16-4-2-3-5-19(16)23)6-11-21(20)29-18-9-7-17(24)8-10-18/h2-12H,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide?
3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide has a molecular weight of 428.92 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide is sourced from PubChem (CID 5143373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).