N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

C28H48N4O5S — CID 174472579

IUPACN-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCCCCCCCCN1CCc2c(C)c(NS(=O)(=O)N(C=O)OC(C)(C)C)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C28H48N4O5S/c1-10-11-12-13-14-15-17-31-18-16-22-20(2)23(30-38(35,36)32(19-33)37-28(7,8)9)21(3)24(25(22)31)29-26(34)27(4,5)6/h19,30H,10-18H2,1-9H3,(H,29,34)
InChIKeyJFMXFJIZVQSFQD-UHFFFAOYSA-N
MW552.78 g/mol
LogP5.86
Rot. Bonds13

About N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 174472579) has the molecular formula C28H48N4O5S and a molecular weight of 552.78 g/mol. Its IUPAC name is N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID174472579
Molecular FormulaC28H48N4O5S
Molecular Weight552.78 g/mol
Exact Mass552.33
IUPAC NameN-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCCCCCCCCN1CCc2c(C)c(NS(=O)(=O)N(C=O)OC(C)(C)C)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C28H48N4O5S/c1-10-11-12-13-14-15-17-31-18-16-22-20(2)23(30-38(35,36)32(19-33)37-28(7,8)9)21(3)24(25(22)31)29-26(34)27(4,5)6/h19,30H,10-18H2,1-9H3,(H,29,34)
InChIKeyJFMXFJIZVQSFQD-UHFFFAOYSA-N
XLogP5.86
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.78
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of 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) is N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is CCCCCCCCN1CCc2c(C)c(NS(=O)(=O)N(C=O)OC(C)(C)C)c(C)c(NC(=O)C(C)(C)C)c21.
What is the InChIKey of N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is JFMXFJIZVQSFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N4O5S/c1-10-11-12-13-14-15-17-31-18-16-22-20(2)23(30-38(35,36)32(19-33)37-28(7,8)9)21(3)24(25(22)31)29-26(34)27(4,5)6/h19,30H,10-18H2,1-9H3,(H,29,34).
What are the key properties of N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 552.78 g/mol, XLogP of 5.86, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[formyl-[(2-methylpropan-2-yl)oxy]sulfamoyl]amino]-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 174472579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).