[5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate

C28H30N2O6S — CID 68847968

IUPAC[5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate
SMILESCCOC(=O)Oc1[nH]c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1-c1cccc(OC)c1
InChIInChI=1S/C28H30N2O6S/c1-6-35-27(31)36-26-25(18-8-7-9-21(16-18)34-5)23-17-20(12-15-24(23)29-26)30-37(32,33)22-13-10-19(11-14-22)28(2,3)4/h7-17,29-30H,6H2,1-5H3
InChIKeySGDRHWFYMLOPMB-UHFFFAOYSA-N
MW522.62 g/mol
LogP6.48
Rot. Bonds7

About [5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate

[5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate (PubChem CID 68847968) has the molecular formula C28H30N2O6S and a molecular weight of 522.62 g/mol. Its IUPAC name is [5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate
PubChem CID68847968
Molecular FormulaC28H30N2O6S
Molecular Weight522.62 g/mol
Exact Mass522.18
IUPAC Name[5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate
SMILESCCOC(=O)Oc1[nH]c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1-c1cccc(OC)c1
InChIInChI=1S/C28H30N2O6S/c1-6-35-27(31)36-26-25(18-8-7-9-21(16-18)34-5)23-17-20(12-15-24(23)29-26)30-37(32,33)22-13-10-19(11-14-22)28(2,3)4/h7-17,29-30H,6H2,1-5H3
InChIKeySGDRHWFYMLOPMB-UHFFFAOYSA-N
XLogP6.48
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.62
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] hydrogen carbonate
CID 68849323
[5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methylphenyl)-1H-indol-2-yl] N-(2-hydroxyethyl)carbamate
CID 68851620
[5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-1H-indol-2-yl] N-(2-acetamidoethyl)carbamate
CID 68850757
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate
CID 68849507
ethyl 5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methylphenyl)-1H-indole-2-carboxylate
CID 69244729
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-benzylcarbamate
CID 68848009
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-pyridin-3-ylcarbamate
CID 68849123
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(6-methyl-2-pyridinyl)carbamate
CID 68847536
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-hydroxyphenyl)carbamate
CID 68850374
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate
CID 68849422
[5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate
CID 69178515
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[4-(dimethylamino)phenyl]carbamate
CID 68848710

Frequently Asked Questions

What is the IUPAC name of [5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate?
The IUPAC name of [5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate (CID 68847968) is [5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate.
What is the SMILES notation for [5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate?
The canonical SMILES for [5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate is CCOC(=O)Oc1[nH]c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1-c1cccc(OC)c1.
What is the InChIKey of [5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate?
The InChIKey is SGDRHWFYMLOPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O6S/c1-6-35-27(31)36-26-25(18-8-7-9-21(16-18)34-5)23-17-20(12-15-24(23)29-26)30-37(32,33)22-13-10-19(11-14-22)28(2,3)4/h7-17,29-30H,6H2,1-5H3.
What are the key properties of [5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate?
[5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate has a molecular weight of 522.62 g/mol, XLogP of 6.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methoxyphenyl)-1H-indol-2-yl] ethyl carbonate is sourced from PubChem (CID 68847968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).