tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate

C25H42N4O5S — CID 46872924

IUPACtert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate
SMILESCc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(=O)(=O)NC(=O)OC(C)(C)C)N(CCC(C)C)CC2
InChIInChI=1S/C25H42N4O5S/c1-15(2)11-13-29-14-12-18-16(3)19(27-35(32,33)28-23(31)34-25(8,9)10)17(4)20(21(18)29)26-22(30)24(5,6)7/h15,27H,11-14H2,1-10H3,(H,26,30)(H,28,31)
InChIKeyLTNGIKHYHSZBFL-UHFFFAOYSA-N
MW510.70 g/mol
LogP4.88
Rot. Bonds7

About tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate

tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate (PubChem CID 46872924) has the molecular formula C25H42N4O5S and a molecular weight of 510.70 g/mol. Its IUPAC name is tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate
PubChem CID46872924
Molecular FormulaC25H42N4O5S
Molecular Weight510.70 g/mol
Exact Mass510.29
IUPAC Nametert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate
SMILESCc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(=O)(=O)NC(=O)OC(C)(C)C)N(CCC(C)C)CC2
InChIInChI=1S/C25H42N4O5S/c1-15(2)11-13-29-14-12-18-16(3)19(27-35(32,33)28-23(31)34-25(8,9)10)17(4)20(21(18)29)26-22(30)24(5,6)7/h15,27H,11-14H2,1-10H3,(H,26,30)(H,28,31)
InChIKeyLTNGIKHYHSZBFL-UHFFFAOYSA-N
XLogP4.88
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.70
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate with MolForge

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Related Compounds

2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(6-methylheptyl)-2,3-dihydroindol-5-yl]acetic acid
CID 68754753
N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
CID 174472579
tert-butyl N-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-2,3-dihydro-1H-indol-5-yl]carbamate
CID 46872447
tert-butyl N-[1-acetyl-5-(2-amino-2-oxoethyl)-4,6-dimethyl-2,3-dihydroindol-7-yl]carbamate
CID 11772838
methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate
CID 53315637
tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen
CID 176960460
tert-butyl N-(oxan-4-ylmethylsulfamoyl)carbamate
CID 155097474
tert-butyl N-propan-2-ylsulfonylcarbamate
CID 18686385
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate
CID 15014351
ditert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanedioate
CID 155093571
1-(3-methylbutyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazole-4-carboxylic acid
CID 103120521

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate?
The IUPAC name of tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate (CID 46872924) is tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate is Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(=O)(=O)NC(=O)OC(C)(C)C)N(CCC(C)C)CC2.
What is the InChIKey of tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate?
The InChIKey is LTNGIKHYHSZBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O5S/c1-15(2)11-13-29-14-12-18-16(3)19(27-35(32,33)28-23(31)34-25(8,9)10)17(4)20(21(18)29)26-22(30)24(5,6)7/h15,27H,11-14H2,1-10H3,(H,26,30)(H,28,31).
What are the key properties of tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate?
tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate has a molecular weight of 510.70 g/mol, XLogP of 4.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-(3-methylbutyl)-2,3-dihydroindol-5-yl]sulfamoyl]carbamate is sourced from PubChem (CID 46872924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).