4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide

C22H28N2O3S — CID 20630356

IUPAC4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2c1CCC2
InChIInChI=1S/C22H28N2O3S/c1-14-13-20(15(2)19-8-6-7-18(14)19)23-21(25)16-9-11-17(12-10-16)24-28(26,27)22(3,4)5/h9-13,24H,6-8H2,1-5H3,(H,23,25)
InChIKeyZWFZOUKUZZANGH-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.58
Rot. Bonds4

About 4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide

4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide (PubChem CID 20630356) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
PubChem CID20630356
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2c1CCC2
InChIInChI=1S/C22H28N2O3S/c1-14-13-20(15(2)19-8-6-7-18(14)19)23-21(25)16-9-11-17(12-10-16)24-28(26,27)22(3,4)5/h9-13,24H,6-8H2,1-5H3,(H,23,25)
InChIKeyZWFZOUKUZZANGH-UHFFFAOYSA-N
XLogP4.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylsulfonylamino)-N-[4-(2,5-dihydropyrrol-1-yl)-2,3-dimethylphenyl]benzamide
CID 20629986
4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
CID 20629931
4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide
CID 20630819
N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
CID 20630386
N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide
CID 20630879
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide
CID 20630033
N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide
CID 59231351
4-(tert-butylsulfonylamino)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 20629092
N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 1249872
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
4-(tert-butylsulfonylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 20630338
4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide
CID 20629329

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide (CID 20630356) is 4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide is Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2c1CCC2.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide?
The InChIKey is ZWFZOUKUZZANGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-14-13-20(15(2)19-8-6-7-18(14)19)23-21(25)16-9-11-17(12-10-16)24-28(26,27)22(3,4)5/h9-13,24H,6-8H2,1-5H3,(H,23,25).
What are the key properties of 4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide?
4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide has a molecular weight of 400.54 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide is sourced from PubChem (CID 20630356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).