2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide

C21H21FN2O3S3 — CID 30278173

IUPAC2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCCSc1ccccc1
InChIInChI=1S/C21H21FN2O3S3/c22-18-10-4-5-11-19(18)24(30(26,27)21-12-6-14-29-21)16-20(25)23-13-7-15-28-17-8-2-1-3-9-17/h1-6,8-12,14H,7,13,15-16H2,(H,23,25)
InChIKeyNUZCOGQRNHLHQD-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.38
Rot. Bonds10

About 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide

2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide (PubChem CID 30278173) has the molecular formula C21H21FN2O3S3 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
PubChem CID30278173
Molecular FormulaC21H21FN2O3S3
Molecular Weight464.61 g/mol
Exact Mass464.07
IUPAC Name2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCCSc1ccccc1
InChIInChI=1S/C21H21FN2O3S3/c22-18-10-4-5-11-19(18)24(30(26,27)21-12-6-14-29-21)16-20(25)23-13-7-15-28-17-8-2-1-3-9-17/h1-6,8-12,14H,7,13,15-16H2,(H,23,25)
InChIKeyNUZCOGQRNHLHQD-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271855
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30278169
N-(2-benzylsulfanylethyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30263213
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30272230
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30278205
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30278199
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265604
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265451
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 30266955
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255117

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide?
The IUPAC name of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide (CID 30278173) is 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide is O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCCSc1ccccc1.
What is the InChIKey of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide?
The InChIKey is NUZCOGQRNHLHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3S3/c22-18-10-4-5-11-19(18)24(30(26,27)21-12-6-14-29-21)16-20(25)23-13-7-15-28-17-8-2-1-3-9-17/h1-6,8-12,14H,7,13,15-16H2,(H,23,25).
What are the key properties of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide?
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide has a molecular weight of 464.61 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide is sourced from PubChem (CID 30278173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).