[2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate

C28H41N3O4S — CID 59109651

IUPAC[2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate
SMILESCCCCCCN1c2cc(C)c(NC(=O)OCc3ccccc3NS(C)(=O)=O)cc2C(C)CC1(C)C
InChIInChI=1S/C28H41N3O4S/c1-7-8-9-12-15-31-26-16-20(2)25(17-23(26)21(3)18-28(31,4)5)29-27(32)35-19-22-13-10-11-14-24(22)30-36(6,33)34/h10-11,13-14,16-17,21,30H,7-9,12,15,18-19H2,1-6H3,(H,29,32)
InChIKeyILOXHRANTDOSRA-UHFFFAOYSA-N
MW515.72 g/mol
LogP6.79
Rot. Bonds10

About [2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate

[2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate (PubChem CID 59109651) has the molecular formula C28H41N3O4S and a molecular weight of 515.72 g/mol. Its IUPAC name is [2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate.

Molecular Properties

Compound Name[2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate
PubChem CID59109651
Molecular FormulaC28H41N3O4S
Molecular Weight515.72 g/mol
Exact Mass515.28
IUPAC Name[2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate
SMILESCCCCCCN1c2cc(C)c(NC(=O)OCc3ccccc3NS(C)(=O)=O)cc2C(C)CC1(C)C
InChIInChI=1S/C28H41N3O4S/c1-7-8-9-12-15-31-26-16-20(2)25(17-23(26)21(3)18-28(31,4)5)29-27(32)35-19-22-13-10-11-14-24(22)30-36(6,33)34/h10-11,13-14,16-17,21,30H,7-9,12,15,18-19H2,1-6H3,(H,29,32)
InChIKeyILOXHRANTDOSRA-UHFFFAOYSA-N
XLogP6.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.72
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate?
The IUPAC name of [2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate (CID 59109651) is [2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate.
What is the SMILES notation for [2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate?
The canonical SMILES for [2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate is CCCCCCN1c2cc(C)c(NC(=O)OCc3ccccc3NS(C)(=O)=O)cc2C(C)CC1(C)C.
What is the InChIKey of [2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate?
The InChIKey is ILOXHRANTDOSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O4S/c1-7-8-9-12-15-31-26-16-20(2)25(17-23(26)21(3)18-28(31,4)5)29-27(32)35-19-22-13-10-11-14-24(22)30-36(6,33)34/h10-11,13-14,16-17,21,30H,7-9,12,15,18-19H2,1-6H3,(H,29,32).
What are the key properties of [2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate?
[2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate has a molecular weight of 515.72 g/mol, XLogP of 6.79, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methanesulfonamido)phenyl]methyl N-(1-hexyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)carbamate is sourced from PubChem (CID 59109651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).