N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide

C30H28N2O3S — CID 101154629

IUPACN-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2c(C)cccc2C(=O)Nc2ccc3c(c2)C[C@H](NS(=O)(=O)c2ccccc2)C3)cc1
InChIInChI=1S/C30H28N2O3S/c1-20-11-13-22(14-12-20)29-21(2)7-6-10-28(29)30(33)31-25-16-15-23-17-26(19-24(23)18-25)32-36(34,35)27-8-4-3-5-9-27/h3-16,18,26,32H,17,19H2,1-2H3,(H,31,33)/t26-/m1/s1
InChIKeyUZHHQLXSRNDLIY-AREMUKBSSA-N
MW496.63 g/mol
LogP5.67
Rot. Bonds6

About N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide

N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide (PubChem CID 101154629) has the molecular formula C30H28N2O3S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide
PubChem CID101154629
Molecular FormulaC30H28N2O3S
Molecular Weight496.63 g/mol
Exact Mass496.18
IUPAC NameN-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2c(C)cccc2C(=O)Nc2ccc3c(c2)C[C@H](NS(=O)(=O)c2ccccc2)C3)cc1
InChIInChI=1S/C30H28N2O3S/c1-20-11-13-22(14-12-20)29-21(2)7-6-10-28(29)30(33)31-25-16-15-23-17-26(19-24(23)18-25)32-36(34,35)27-8-4-3-5-9-27/h3-16,18,26,32H,17,19H2,1-2H3,(H,31,33)/t26-/m1/s1
InChIKeyUZHHQLXSRNDLIY-AREMUKBSSA-N
XLogP5.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.63
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide
CID 101154632
N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943905
2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide
CID 59943799
[(2S)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamic acid
CID 162577425
N-[2-(butylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58002840
N-[2-(2,2-dimethylpropanoylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943718
N-[2-(methanesulfonamidomethyl)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 11027521
N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943885
N-[2-(cyclohexylmethylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58002817
2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide
CID 59943857
N-[(2S)-2-(1-benzofuran-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 24797979
5-(cyclopropylsulfamoyl)-N-(9H-fluoren-2-yl)-2-methylbenzamide
CID 34074950

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide?
The IUPAC name of N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide (CID 101154629) is N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide?
The canonical SMILES for N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide is Cc1ccc(-c2c(C)cccc2C(=O)Nc2ccc3c(c2)C[C@H](NS(=O)(=O)c2ccccc2)C3)cc1.
What is the InChIKey of N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide?
The InChIKey is UZHHQLXSRNDLIY-AREMUKBSSA-N. The full InChI is InChI=1S/C30H28N2O3S/c1-20-11-13-22(14-12-20)29-21(2)7-6-10-28(29)30(33)31-25-16-15-23-17-26(19-24(23)18-25)32-36(34,35)27-8-4-3-5-9-27/h3-16,18,26,32H,17,19H2,1-2H3,(H,31,33)/t26-/m1/s1.
What are the key properties of N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide?
N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide has a molecular weight of 496.63 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide is sourced from PubChem (CID 101154629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).