N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

C21H20F2N2O3S3 — CID 30272234

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)NCCSCc1ccccc1F
InChIInChI=1S/C21H20F2N2O3S3/c22-17-7-9-18(10-8-17)25(31(27,28)21-6-3-12-30-21)14-20(26)24-11-13-29-15-16-4-1-2-5-19(16)23/h1-10,12H,11,13-15H2,(H,24,26)
InChIKeyULFZVXMWTSKACT-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.27
Rot. Bonds10

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 30272234) has the molecular formula C21H20F2N2O3S3 and a molecular weight of 482.60 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID30272234
Molecular FormulaC21H20F2N2O3S3
Molecular Weight482.60 g/mol
Exact Mass482.06
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)NCCSCc1ccccc1F
InChIInChI=1S/C21H20F2N2O3S3/c22-17-7-9-18(10-8-17)25(31(27,28)21-6-3-12-30-21)14-20(26)24-11-13-29-15-16-4-1-2-5-19(16)23/h1-10,12H,11,13-15H2,(H,24,26)
InChIKeyULFZVXMWTSKACT-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide 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-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30272230
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 30272225
N-(2-benzylsulfanylethyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30263213
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30257544
N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271860
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30278205
N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30268780
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 30228683
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 30265535
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126416394
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30277815
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271855

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (CID 30272234) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)NCCSCc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is ULFZVXMWTSKACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3S3/c22-17-7-9-18(10-8-17)25(31(27,28)21-6-3-12-30-21)14-20(26)24-11-13-29-15-16-4-1-2-5-19(16)23/h1-10,12H,11,13-15H2,(H,24,26).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 482.60 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 30272234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).