3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

C23H25F3N2O4S — CID 55687062

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C23H25F3N2O4S/c1-2-28(15-21(29)27-20-9-4-3-8-19(20)23(24,25)26)22(30)12-13-33(31,32)18-11-10-16-6-5-7-17(16)14-18/h3-4,8-11,14H,2,5-7,12-13,15H2,1H3,(H,27,29)
InChIKeyKRWFVMWWECXIDH-UHFFFAOYSA-N
MW482.52 g/mol
LogP3.85
Rot. Bonds8

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (PubChem CID 55687062) has the molecular formula C23H25F3N2O4S and a molecular weight of 482.52 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
PubChem CID55687062
Molecular FormulaC23H25F3N2O4S
Molecular Weight482.52 g/mol
Exact Mass482.15
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C23H25F3N2O4S/c1-2-28(15-21(29)27-20-9-4-3-8-19(20)23(24,25)26)22(30)12-13-33(31,32)18-11-10-16-6-5-7-17(16)14-18/h3-4,8-11,14H,2,5-7,12-13,15H2,1H3,(H,27,29)
InChIKeyKRWFVMWWECXIDH-UHFFFAOYSA-N
XLogP3.85
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
CID 55706970
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18281791
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011415
N-ethyl-4-(methylamino)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 119682068
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112978188
N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16596462
N-ethyl-3-(4-fluorophenyl)sulfanyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24982335
N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 51103434
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 9095217

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (CID 55687062) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The InChIKey is KRWFVMWWECXIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O4S/c1-2-28(15-21(29)27-20-9-4-3-8-19(20)23(24,25)26)22(30)12-13-33(31,32)18-11-10-16-6-5-7-17(16)14-18/h3-4,8-11,14H,2,5-7,12-13,15H2,1H3,(H,27,29).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide has a molecular weight of 482.52 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is sourced from PubChem (CID 55687062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).