N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide

C23H24F3NO4S3 — CID 25234245

IUPACN-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)CN(Cc1ccc(-c2cccc(S(C)(=O)=O)c2)s1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H24F3NO4S3/c1-16(2)14-27(34(30,31)22-10-5-4-9-20(22)23(24,25)26)15-18-11-12-21(32-18)17-7-6-8-19(13-17)33(3,28)29/h4-13,16H,14-15H2,1-3H3
InChIKeyYOGRLJJNRJGTEK-UHFFFAOYSA-N
MW531.64 g/mol
LogP5.68
Rot. Bonds8

About N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide

N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 25234245) has the molecular formula C23H24F3NO4S3 and a molecular weight of 531.64 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID25234245
Molecular FormulaC23H24F3NO4S3
Molecular Weight531.64 g/mol
Exact Mass531.08
IUPAC NameN-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)CN(Cc1ccc(-c2cccc(S(C)(=O)=O)c2)s1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H24F3NO4S3/c1-16(2)14-27(34(30,31)22-10-5-4-9-20(22)23(24,25)26)15-18-11-12-21(32-18)17-7-6-8-19(13-17)33(3,28)29/h4-13,16H,14-15H2,1-3H3
InChIKeyYOGRLJJNRJGTEK-UHFFFAOYSA-N
XLogP5.68
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.64
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)sulfonyl-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]benzamide
CID 25235119
[5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine
CID 159006983
ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55663353
5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 141164267
5-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-3-prop-1-en-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 69120821
5-(3-methylsulfonylphenyl)thiophene-2-carboxylic acid
CID 53486055
(Z)-1,1,1-trifluoro-4-hydroxy-4-[5-(3-methylsulfonylphenyl)thiophen-2-yl]but-3-en-2-one
CID 59632486
1,1,1-trifluoro-4-hydroxy-4-[5-(3-methylsulfonylphenyl)thiophen-2-yl]but-3-en-2-one
CID 68655693
2-[2-methylpropyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113148570
4-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-8-(trifluoromethyl)quinoline-3-carboxamide
CID 68879526
2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18080138
2-[4-bromo-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]propan-2-ol
CID 59633279

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 25234245) is N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide is CC(C)CN(Cc1ccc(-c2cccc(S(C)(=O)=O)c2)s1)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YOGRLJJNRJGTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO4S3/c1-16(2)14-27(34(30,31)22-10-5-4-9-20(22)23(24,25)26)15-18-11-12-21(32-18)17-7-6-8-19(13-17)33(3,28)29/h4-13,16H,14-15H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 531.64 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[[5-(3-methylsulfonylphenyl)thiophen-2-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 25234245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).