N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

C28H29F3N2O3S — CID 58002840

IUPACN-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCCCS(=O)(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1
InChIInChI=1S/C28H29F3N2O3S/c1-3-4-14-37(35,36)33-24-15-20-10-13-23(16-21(20)17-24)32-27(34)25-7-5-6-18(2)26(25)19-8-11-22(12-9-19)28(29,30)31/h5-13,16,24,33H,3-4,14-15,17H2,1-2H3,(H,32,34)
InChIKeyKQXYEGGLIPRMPR-UHFFFAOYSA-N
MW530.61 g/mol
LogP6.12
Rot. Bonds8

About N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 58002840) has the molecular formula C28H29F3N2O3S and a molecular weight of 530.61 g/mol. Its IUPAC name is N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID58002840
Molecular FormulaC28H29F3N2O3S
Molecular Weight530.61 g/mol
Exact Mass530.19
IUPAC NameN-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCCCS(=O)(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1
InChIInChI=1S/C28H29F3N2O3S/c1-3-4-14-37(35,36)33-24-15-20-10-13-23(16-21(20)17-24)32-27(34)25-7-5-6-18(2)26(25)19-8-11-22(12-9-19)28(29,30)31/h5-13,16,24,33H,3-4,14-15,17H2,1-2H3,(H,32,34)
InChIKeyKQXYEGGLIPRMPR-UHFFFAOYSA-N
XLogP6.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.61
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943905
[(2S)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamic acid
CID 162577425
2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide
CID 59943799
N-[2-(methanesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 11027521
N-[2-(2,2-dimethylpropanoylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943718
N-[2-(cyclohexylmethylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58002817
N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide
CID 101154629
N-[(2S)-2-(1-benzofuran-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 24797979
3-methyl-N-[2-[(1-methylimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58002850
N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide
CID 101154632
N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58002843
5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943897

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide (CID 58002840) is N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide is CCCCS(=O)(=O)NC1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1.
What is the InChIKey of N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KQXYEGGLIPRMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N2O3S/c1-3-4-14-37(35,36)33-24-15-20-10-13-23(16-21(20)17-24)32-27(34)25-7-5-6-18(2)26(25)19-8-11-22(12-9-19)28(29,30)31/h5-13,16,24,33H,3-4,14-15,17H2,1-2H3,(H,32,34).
What are the key properties of N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 530.61 g/mol, XLogP of 6.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58002840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).