[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate

C34H30N4O4S — CID 68848078

IUPAC[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)Nc4cccc5ncccc45)c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C34H30N4O4S/c1-34(2,3)23-14-17-25(18-15-23)43(40,41)38-24-16-19-30-27(21-24)31(22-9-5-4-6-10-22)32(36-30)42-33(39)37-29-13-7-12-28-26(29)11-8-20-35-28/h4-21,36,38H,1-3H3,(H,37,39)
InChIKeyZYUIGBUHIMXVMD-UHFFFAOYSA-N
MW590.71 g/mol
LogP8.09
Rot. Bonds6

About [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate

[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate (PubChem CID 68848078) has the molecular formula C34H30N4O4S and a molecular weight of 590.71 g/mol. Its IUPAC name is [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate.

Molecular Properties

Compound Name[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate
PubChem CID68848078
Molecular FormulaC34H30N4O4S
Molecular Weight590.71 g/mol
Exact Mass590.20
IUPAC Name[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)Nc4cccc5ncccc45)c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C34H30N4O4S/c1-34(2,3)23-14-17-25(18-15-23)43(40,41)38-24-16-19-30-27(21-24)31(22-9-5-4-6-10-22)32(36-30)42-33(39)37-29-13-7-12-28-26(29)11-8-20-35-28/h4-21,36,38H,1-3H3,(H,37,39)
InChIKeyZYUIGBUHIMXVMD-UHFFFAOYSA-N
XLogP8.09
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.71
LogP ≤ 58.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[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-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] hydrogen carbonate
CID 68849323
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate
CID 68849422
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[4-(dimethylamino)phenyl]carbamate
CID 68848710
[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-(4-cyanophenyl)carbamate
CID 68849911
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate
CID 68849507
[5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylphenyl)-1H-indol-2-yl] N-pyridin-4-ylcarbamate
CID 68852470
[5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methylphenyl)-1H-indol-2-yl] N-(2-hydroxyethyl)carbamate
CID 68851620
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate
CID 68850428

Frequently Asked Questions

What is the IUPAC name of [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate?
The IUPAC name of [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate (CID 68848078) is [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate.
What is the SMILES notation for [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate?
The canonical SMILES for [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)Nc4cccc5ncccc45)c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate?
The InChIKey is ZYUIGBUHIMXVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O4S/c1-34(2,3)23-14-17-25(18-15-23)43(40,41)38-24-16-19-30-27(21-24)31(22-9-5-4-6-10-22)32(36-30)42-33(39)37-29-13-7-12-28-26(29)11-8-20-35-28/h4-21,36,38H,1-3H3,(H,37,39).
What are the key properties of [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate?
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate has a molecular weight of 590.71 g/mol, XLogP of 8.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate is sourced from PubChem (CID 68848078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).