N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide

C22H26N4O4S — CID 140997043

IUPACN-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCc2cc(S(=O)(=O)N3CC(c4ccccc4)NC3=O)ccc21
InChIInChI=1S/C22H26N4O4S/c1-22(2,3)24-21(28)25-12-11-16-13-17(9-10-19(16)25)31(29,30)26-14-18(23-20(26)27)15-7-5-4-6-8-15/h4-10,13,18H,11-12,14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyKFYGIQKJEBHMNA-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.01
Rot. Bonds3

About N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide

N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide (PubChem CID 140997043) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
PubChem CID140997043
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCc2cc(S(=O)(=O)N3CC(c4ccccc4)NC3=O)ccc21
InChIInChI=1S/C22H26N4O4S/c1-22(2,3)24-21(28)25-12-11-16-13-17(9-10-19(16)25)31(29,30)26-14-18(23-20(26)27)15-7-5-4-6-8-15/h4-10,13,18H,11-12,14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyKFYGIQKJEBHMNA-UHFFFAOYSA-N
XLogP3.01
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide (CID 140997043) is N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide is CC(C)(C)NC(=O)N1CCc2cc(S(=O)(=O)N3CC(c4ccccc4)NC3=O)ccc21.
What is the InChIKey of N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is KFYGIQKJEBHMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-22(2,3)24-21(28)25-12-11-16-13-17(9-10-19(16)25)31(29,30)26-14-18(23-20(26)27)15-7-5-4-6-8-15/h4-10,13,18H,11-12,14H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide?
N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 140997043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).