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

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

(4R)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
CID 10322106
(4R)-4-phenyl-1-[[1-(pyridine-4-carbonyl)-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
CID 11453684
4-phenyl-1-[[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydroindol-5-yl]sulfonyl]imidazolidin-2-one
CID 21224949
1-[[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one
CID 21224887
propyl 6-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 53376888
(4S)-1-[[1-(4-aminobenzoyl)-2,3-dihydroindol-5-yl]sulfonyl]-4-phenylimidazolidin-2-one;[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]azanium;chloride
CID 139057948
tert-butyl N-[1-oxo-1-[4-[5-(2-oxo-4-phenylimidazolidin-1-yl)sulfonyl-2,3-dihydroindole-1-carbonyl]anilino]propan-2-yl]carbamate
CID 21224927
(2S)-2-amino-4-methylsulfanyl-N-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]butanamide
CID 86289001
2-amino-N-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]phenyl]-3-phenylpropanamide
CID 21311000
1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 75110472
cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone
CID 3244754
(4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[1-[3,5-dimethyl-2-[2-methyl-4-oxo-4-[4-[5-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonyl-2,3-dihydroindole-1-carbonyl]anilino]butan-2-yl]phenoxy]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 46233896

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).