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

C30H33N5O5S — CID 68850428

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

[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate (PubChem CID 68850428) has the molecular formula C30H33N5O5S and a molecular weight of 575.69 g/mol. Its IUPAC name is [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate.

Molecular Properties

• Compound Name: [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate
• PubChem CID: 68850428
• Molecular Formula: C30H33N5O5S
• Molecular Weight: 575.69 g/mol
• Exact Mass: 575.22
• IUPAC Name: [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCCN4CCNC4=O)c(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C30H33N5O5S/c1-30(2,3)21-9-12-23(13-10-21)41(38,39)34-22-11-14-25-24(19-22)26(20-7-5-4-6-8-20)27(33-25)40-29(37)32-16-18-35-17-15-31-28(35)36/h4-14,19,33-34H,15-18H2,1-3H3,(H,31,36)(H,32,37)
• InChIKey: LKRLVTZTOMVYOS-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 132.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.69
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate?

The IUPAC name of [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate (CID 68850428) is [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate.

What is the SMILES notation for [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate?

The canonical SMILES for [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NCCN4CCNC4=O)c(-c4ccccc4)c3c2)cc1.

What is the InChIKey of [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate?

The InChIKey is LKRLVTZTOMVYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O5S/c1-30(2,3)21-9-12-23(13-10-21)41(38,39)34-22-11-14-25-24(19-22)26(20-7-5-4-6-8-20)27(33-25)40-29(37)32-16-18-35-17-15-31-28(35)36/h4-14,19,33-34H,15-18H2,1-3H3,(H,31,36)(H,32,37).

What are the key properties of [5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate?

[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate has a molecular weight of 575.69 g/mol, XLogP of 5.05, 8 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-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 68850428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).