N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide

C25H25FN2O2S2 — CID 26635919

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
SMILESCc1ccc(NC(=O)CSc2ccccc2C(=O)NCCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C25H25FN2O2S2/c1-18-7-11-20(12-8-18)28-24(29)17-32-23-6-3-2-5-22(23)25(30)27-15-4-16-31-21-13-9-19(26)10-14-21/h2-3,5-14H,4,15-17H2,1H3,(H,27,30)(H,28,29)
InChIKeyOYQLNUSXCFZRJU-UHFFFAOYSA-N
MW468.62 g/mol
LogP5.78
Rot. Bonds10

About N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 26635919) has the molecular formula C25H25FN2O2S2 and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
PubChem CID26635919
Molecular FormulaC25H25FN2O2S2
Molecular Weight468.62 g/mol
Exact Mass468.13
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
SMILESCc1ccc(NC(=O)CSc2ccccc2C(=O)NCCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C25H25FN2O2S2/c1-18-7-11-20(12-8-18)28-24(29)17-32-23-6-3-2-5-22(23)25(30)27-15-4-16-31-21-13-9-19(26)10-14-21/h2-3,5-14H,4,15-17H2,1H3,(H,27,30)(H,28,29)
InChIKeyOYQLNUSXCFZRJU-UHFFFAOYSA-N
XLogP5.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]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

N-(5-fluoro-2-methylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55345576
N-(2-fluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 78777754
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
N-[(2-methoxyphenyl)methyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 26776005
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 112762736
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 120651172
N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 8744220
N-[2-(diethylamino)-2-phenylethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 112764996
N-(4-methylphenyl)-2-[2-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]phenyl]sulfanylacetamide
CID 4858191
2-fluoro-N-[2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]ethyl]benzamide
CID 55982413

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide (CID 26635919) is N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide is Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCCSc2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is OYQLNUSXCFZRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2S2/c1-18-7-11-20(12-8-18)28-24(29)17-32-23-6-3-2-5-22(23)25(30)27-15-4-16-31-21-13-9-19(26)10-14-21/h2-3,5-14H,4,15-17H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 468.62 g/mol, XLogP of 5.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 26635919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).