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

C32H30N4O5S — CID 68849422

IUPAC[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)Nc4ccc(C(N)=O)cc4)c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C32H30N4O5S/c1-32(2,3)22-11-16-25(17-12-22)42(39,40)36-24-15-18-27-26(19-24)28(20-7-5-4-6-8-20)30(35-27)41-31(38)34-23-13-9-21(10-14-23)29(33)37/h4-19,35-36H,1-3H3,(H2,33,37)(H,34,38)
InChIKeyDAOBNSOYWWUTDS-UHFFFAOYSA-N
MW582.68 g/mol
LogP6.64
Rot. Bonds7

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

[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate (PubChem CID 68849422) has the molecular formula C32H30N4O5S and a molecular weight of 582.68 g/mol. Its IUPAC name is [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate.

Molecular Properties

Compound Name[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate
PubChem CID68849422
Molecular FormulaC32H30N4O5S
Molecular Weight582.68 g/mol
Exact Mass582.19
IUPAC Name[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)Nc4ccc(C(N)=O)cc4)c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C32H30N4O5S/c1-32(2,3)22-11-16-25(17-12-22)42(39,40)36-24-15-18-27-26(19-24)28(20-7-5-4-6-8-20)30(35-27)41-31(38)34-23-13-9-21(10-14-23)29(33)37/h4-19,35-36H,1-3H3,(H2,33,37)(H,34,38)
InChIKeyDAOBNSOYWWUTDS-UHFFFAOYSA-N
XLogP6.64
TPSA143.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.68
LogP ≤ 56.64
H-Bond Donors ≤ 54
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-[4-(dimethylamino)phenyl]carbamate
CID 68848710
[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-pyridin-3-ylcarbamate
CID 68849123
[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-(6-methyl-2-pyridinyl)carbamate
CID 68847536
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-benzylcarbamate
CID 68848009
[5-[(4-tert-butylphenyl)sulfonylamino]-3-(4-methylphenyl)-1H-indol-2-yl] N-pyridin-4-ylcarbamate
CID 68852470
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate
CID 68849507
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-quinolin-5-ylcarbamate
CID 68848078
[5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate
CID 69178515
[5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-methylphenyl)-1H-indol-2-yl] N-(2-hydroxyethyl)carbamate
CID 68851620

Frequently Asked Questions

What is the IUPAC name of [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate?
The IUPAC name of [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate (CID 68849422) is [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate.
What is the SMILES notation for [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate?
The canonical SMILES for [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)Nc4ccc(C(N)=O)cc4)c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate?
The InChIKey is DAOBNSOYWWUTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O5S/c1-32(2,3)22-11-16-25(17-12-22)42(39,40)36-24-15-18-27-26(19-24)28(20-7-5-4-6-8-20)30(35-27)41-31(38)34-23-13-9-21(10-14-23)29(33)37/h4-19,35-36H,1-3H3,(H2,33,37)(H,34,38).
What are the key properties of [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate?
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-carbamoylphenyl)carbamate has a molecular weight of 582.68 g/mol, XLogP of 6.64, 7 rotatable bonds, 4 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-(4-carbamoylphenyl)carbamate is sourced from PubChem (CID 68849422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).