N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide

C15H15F3N2O3S3 — CID 130358036

IUPACN-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCN(C)S(=O)(=O)c1ccc(Sc2ccc(CNC(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C15H15F3N2O3S3/c1-20(2)26(22,23)12-6-3-10(4-7-12)24-13-8-5-11(25-13)9-19-14(21)15(16,17)18/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyVJRPUERRSPHGKC-UHFFFAOYSA-N
MW424.49 g/mol
LogP3.33
Rot. Bonds6

About N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide

N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 130358036) has the molecular formula C15H15F3N2O3S3 and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID130358036
Molecular FormulaC15H15F3N2O3S3
Molecular Weight424.49 g/mol
Exact Mass424.02
IUPAC NameN-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide
SMILESCN(C)S(=O)(=O)c1ccc(Sc2ccc(CNC(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C15H15F3N2O3S3/c1-20(2)26(22,23)12-6-3-10(4-7-12)24-13-8-5-11(25-13)9-19-14(21)15(16,17)18/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyVJRPUERRSPHGKC-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
CID 138618957
US10807974, Example 31
CID 130358176
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N-[2-(4-Fluorobenzenesulfonyl)-2-(thiophen-2-YL)ethyl]acetamide
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N-((5-sulfamoylthiophen-2-yl)methyl)acetamide
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2-[(2,6-difluorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4785336
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8320592
2-[ethyl-(2,3,4-trifluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 24419700
5-(1-Acetamidoethyl)thiophene-2-sulfonyl chloride
CID 24689365
8-(Benzenesulfonyl)-1-[(5-methylthiophen-2-YL)methyl]-1,4,8-triazacycloundecan-5-one
CID 110200892
N-[[5-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 33040119

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide (CID 130358036) is N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide is CN(C)S(=O)(=O)c1ccc(Sc2ccc(CNC(=O)C(F)(F)F)s2)cc1.
What is the InChIKey of N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is VJRPUERRSPHGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S3/c1-20(2)26(22,23)12-6-3-10(4-7-12)24-13-8-5-11(25-13)9-19-14(21)15(16,17)18/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 424.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophen-2-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130358036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).