N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide

C19H16F2N2O3S3 — CID 4836423

IUPACN-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C19H16F2N2O3S3/c20-19(21)28-15-8-6-13(7-9-15)23-29(25,26)17-5-1-3-14(11-17)22-18(24)12-16-4-2-10-27-16/h1-11,19,23H,12H2,(H,22,24)
InChIKeyPWJRDXIISLYBDG-UHFFFAOYSA-N
MW454.55 g/mol
LogP5.04
Rot. Bonds8

About N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide

N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 4836423) has the molecular formula C19H16F2N2O3S3 and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID4836423
Molecular FormulaC19H16F2N2O3S3
Molecular Weight454.55 g/mol
Exact Mass454.03
IUPAC NameN-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C19H16F2N2O3S3/c20-19(21)28-15-8-6-13(7-9-15)23-29(25,26)17-5-1-3-14(11-17)22-18(24)12-16-4-2-10-27-16/h1-11,19,23H,12H2,(H,22,24)
InChIKeyPWJRDXIISLYBDG-UHFFFAOYSA-N
XLogP5.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
3-(benzamidocarbamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]benzenesulfonamide
CID 46651951
ethyl 4-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 25335473
N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide
CID 566349
N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39267237
N-[3-(methoxymethyl)phenyl]-2-thiophen-2-ylacetamide
CID 33287828
N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832
N-(3-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 22779737
5-(azepan-1-ylsulfonyl)-N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-methoxybenzamide
CID 4858731
N-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570342
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide
CID 60803937

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide (CID 4836423) is N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1.
What is the InChIKey of N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is PWJRDXIISLYBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S3/c20-19(21)28-15-8-6-13(7-9-15)23-29(25,26)17-5-1-3-14(11-17)22-18(24)12-16-4-2-10-27-16/h1-11,19,23H,12H2,(H,22,24).
What are the key properties of N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide?
N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 454.55 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 4836423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).