[5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate

C25H25N3O6S2 — CID 68848390

IUPAC[5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate
SMILESCCCNC(=O)Oc1[nH]c2ccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2c1-c1ccccc1
InChIInChI=1S/C25H25N3O6S2/c1-3-15-26-25(29)34-24-23(17-7-5-4-6-8-17)21-16-18(9-14-22(21)27-24)28-36(32,33)20-12-10-19(11-13-20)35(2,30)31/h4-14,16,27-28H,3,15H2,1-2H3,(H,26,29)
InChIKeyADBUSCKNRZOMJZ-UHFFFAOYSA-N
MW527.62 g/mol
LogP4.54
Rot. Bonds8

About [5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate

[5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate (PubChem CID 68848390) has the molecular formula C25H25N3O6S2 and a molecular weight of 527.62 g/mol. Its IUPAC name is [5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate.

Molecular Properties

Compound Name[5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate
PubChem CID68848390
Molecular FormulaC25H25N3O6S2
Molecular Weight527.62 g/mol
Exact Mass527.12
IUPAC Name[5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate
SMILESCCCNC(=O)Oc1[nH]c2ccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2c1-c1ccccc1
InChIInChI=1S/C25H25N3O6S2/c1-3-15-26-25(29)34-24-23(17-7-5-4-6-8-17)21-16-18(9-14-22(21)27-24)28-36(32,33)20-12-10-19(11-13-20)35(2,30)31/h4-14,16,27-28H,3,15H2,1-2H3,(H,26,29)
InChIKeyADBUSCKNRZOMJZ-UHFFFAOYSA-N
XLogP4.54
TPSA134.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate 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-benzylcarbamate
CID 68848009
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-(2-hydroxypropyl)carbamate
CID 68849507
[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] hydrogen carbonate
CID 68849323
[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-hydroxyphenyl)carbamate
CID 68850374
[5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-fluorophenyl)-1H-indol-2-yl] N-(2-acetamidoethyl)carbamate
CID 68850757
[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-(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-(4-cyanophenyl)carbamate
CID 68849911

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate?
The IUPAC name of [5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate (CID 68848390) is [5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate.
What is the SMILES notation for [5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate?
The canonical SMILES for [5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate is CCCNC(=O)Oc1[nH]c2ccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2c1-c1ccccc1.
What is the InChIKey of [5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate?
The InChIKey is ADBUSCKNRZOMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6S2/c1-3-15-26-25(29)34-24-23(17-7-5-4-6-8-17)21-16-18(9-14-22(21)27-24)28-36(32,33)20-12-10-19(11-13-20)35(2,30)31/h4-14,16,27-28H,3,15H2,1-2H3,(H,26,29).
What are the key properties of [5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate?
[5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate has a molecular weight of 527.62 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methylsulfonylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-propylcarbamate is sourced from PubChem (CID 68848390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).