N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide

C24H22F3NO3S2 — CID 158395011

IUPACN-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Cc1cc(S(=O)(=O)NCC2CC2)ccc1-c1ccsc1
InChIInChI=1S/C24H22F3NO3S2/c25-24(26,27)20-3-1-2-17(10-20)11-21(29)12-19-13-22(33(30,31)28-14-16-4-5-16)6-7-23(19)18-8-9-32-15-18/h1-3,6-10,13,15-16,28H,4-5,11-12,14H2
InChIKeyGXLBXLPHHFSBRI-UHFFFAOYSA-N
MW493.57 g/mol
LogP5.48
Rot. Bonds9

About N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide

N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide (PubChem CID 158395011) has the molecular formula C24H22F3NO3S2 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
PubChem CID158395011
Molecular FormulaC24H22F3NO3S2
Molecular Weight493.57 g/mol
Exact Mass493.10
IUPAC NameN-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Cc1cc(S(=O)(=O)NCC2CC2)ccc1-c1ccsc1
InChIInChI=1S/C24H22F3NO3S2/c25-24(26,27)20-3-1-2-17(10-20)11-21(29)12-19-13-22(33(30,31)28-14-16-4-5-16)6-7-23(19)18-8-9-32-15-18/h1-3,6-10,13,15-16,28H,4-5,11-12,14H2
InChIKeyGXLBXLPHHFSBRI-UHFFFAOYSA-N
XLogP5.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
CID 160708004
N-ethoxy-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide
CID 159347975
4-(cyclopropylmethoxy)-N-(oxetan-3-yl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide
CID 158322174
4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 152770738
3-[3-(3-hydroxyphenyl)-2-oxopropyl]-4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 158141798
1-[5-(2-hydroxyethylsulfamoyl)-2-thiophen-3-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90101439
N-[(3-chlorocyclobutyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 66004822
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 94061219
2-(3-amino-4-thiophen-3-ylphenyl)-N-cyclopropyl-2,2-difluoroacetamide;1-bromo-4-methylbenzene;N-cyclopropyl-2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetamide;N-cyclopropyl-2,2-difluoro-2-[3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylphenyl]acetamide;2,2-difluoro-2-(3-nitro-4-thiophen-3-ylphenyl)acetic acid;ethyl 2-(4-bromo-3-nitrophenyl)-2,2-difluoroacetate;ethyl 2-(4-bromophenyl)-2,2-difluoroacetate
CID 161130174
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90628002
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide (CID 158395011) is N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide is O=C(Cc1cccc(C(F)(F)F)c1)Cc1cc(S(=O)(=O)NCC2CC2)ccc1-c1ccsc1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide?
The InChIKey is GXLBXLPHHFSBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO3S2/c25-24(26,27)20-3-1-2-17(10-20)11-21(29)12-19-13-22(33(30,31)28-14-16-4-5-16)6-7-23(19)18-8-9-32-15-18/h1-3,6-10,13,15-16,28H,4-5,11-12,14H2.
What are the key properties of N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide?
N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide has a molecular weight of 493.57 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 158395011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).