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

C28H31N3O5S — CID 69178515

IUPAC[5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate
SMILESCC(O)CNC(=O)Oc1[nH]c2ccc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)cc2c1-c1ccccc1
InChIInChI=1S/C28H31N3O5S/c1-18(32)17-29-27(33)36-26-25(19-8-6-5-7-9-19)23-16-22(14-15-24(23)30-26)37(34,35)31-21-12-10-20(11-13-21)28(2,3)4/h5-16,18,30-32H,17H2,1-4H3,(H,29,33)
InChIKeyRNDMMQVFQCRLEF-UHFFFAOYSA-N
MW521.64 g/mol
LogP5.40
Rot. Bonds7

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

[5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate (PubChem CID 69178515) has the molecular formula C28H31N3O5S and a molecular weight of 521.64 g/mol. Its IUPAC name is [5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate.

Molecular Properties

Compound Name[5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate
PubChem CID69178515
Molecular FormulaC28H31N3O5S
Molecular Weight521.64 g/mol
Exact Mass521.20
IUPAC Name[5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate
SMILESCC(O)CNC(=O)Oc1[nH]c2ccc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)cc2c1-c1ccccc1
InChIInChI=1S/C28H31N3O5S/c1-18(32)17-29-27(33)36-26-25(19-8-6-5-7-9-19)23-16-22(14-15-24(23)30-26)37(34,35)31-21-12-10-20(11-13-21)28(2,3)4/h5-16,18,30-32H,17H2,1-4H3,(H,29,33)
InChIKeyRNDMMQVFQCRLEF-UHFFFAOYSA-N
XLogP5.40
TPSA120.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.64
LogP ≤ 55.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-benzylcarbamate
CID 68848009
[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-hydroxyphenyl)carbamate
CID 68850374
[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-(6-methyl-2-pyridinyl)carbamate
CID 68847536
[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-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate
CID 68850428
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(4-cyanophenyl)carbamate
CID 68849911
[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-pyridin-3-ylcarbamate
CID 68849123

Frequently Asked Questions

What is the IUPAC name of [5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate?
The IUPAC name of [5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate (CID 69178515) is [5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate.
What is the SMILES notation for [5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate?
The canonical SMILES for [5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate is CC(O)CNC(=O)Oc1[nH]c2ccc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)cc2c1-c1ccccc1.
What is the InChIKey of [5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate?
The InChIKey is RNDMMQVFQCRLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5S/c1-18(32)17-29-27(33)36-26-25(19-8-6-5-7-9-19)23-16-22(14-15-24(23)30-26)37(34,35)31-21-12-10-20(11-13-21)28(2,3)4/h5-16,18,30-32H,17H2,1-4H3,(H,29,33).
What are the key properties of [5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate?
[5-[(4-tert-butylphenyl)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate has a molecular weight of 521.64 g/mol, XLogP of 5.40, 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)sulfamoyl]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate is sourced from PubChem (CID 69178515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).