N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide

C23H21N3O6S — CID 4951255

IUPACN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H21N3O6S/c1-16(32-20-10-8-19(9-11-20)26(28)29)23(27)24-18-6-12-21(13-7-18)33(30,31)25-15-14-17-4-2-3-5-22(17)25/h2-13,16H,14-15H2,1H3,(H,24,27)
InChIKeyOIQRPHHPQWZBED-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.75
Rot. Bonds7

About N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide (PubChem CID 4951255) has the molecular formula C23H21N3O6S and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide
PubChem CID4951255
Molecular FormulaC23H21N3O6S
Molecular Weight467.50 g/mol
Exact Mass467.12
IUPAC NameN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H21N3O6S/c1-16(32-20-10-8-19(9-11-20)26(28)29)23(27)24-18-6-12-21(13-7-18)33(30,31)25-15-14-17-4-2-3-5-22(17)25/h2-13,16H,14-15H2,1H3,(H,24,27)
InChIKeyOIQRPHHPQWZBED-UHFFFAOYSA-N
XLogP3.75
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(2-methylphenoxy)propanamide
CID 42505329
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-nitrobenzamide
CID 1362502
2-(2-chlorophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide
CID 4932003
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(4-nitrophenoxy)propanamide
CID 4951331
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
6-nitro-1-(4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
CID 110287404
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
(2S)-2-(3-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7865173
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide (CID 4951255) is N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide?
The InChIKey is OIQRPHHPQWZBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6S/c1-16(32-20-10-8-19(9-11-20)26(28)29)23(27)24-18-6-12-21(13-7-18)33(30,31)25-15-14-17-4-2-3-5-22(17)25/h2-13,16H,14-15H2,1H3,(H,24,27).
What are the key properties of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide?
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide has a molecular weight of 467.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 4951255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).