N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide

C23H19N3O6S — CID 98430375

IUPACN-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)C(=O)[C@H]3C(=O)Nc4ccccc43)c2)cc1
InChIInChI=1S/C23H19N3O6S/c1-32-16-11-9-14(10-12-16)26-33(30,31)17-6-4-5-15(13-17)24-23(29)21(27)20-18-7-2-3-8-19(18)25-22(20)28/h2-13,20,26H,1H3,(H,24,29)(H,25,28)/t20-/m0/s1
InChIKeyDQKNUDINAHVWCS-FQEVSTJZSA-N
MW465.49 g/mol
LogP2.74
Rot. Bonds7

About N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide

N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide (PubChem CID 98430375) has the molecular formula C23H19N3O6S and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
PubChem CID98430375
Molecular FormulaC23H19N3O6S
Molecular Weight465.49 g/mol
Exact Mass465.10
IUPAC NameN-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)C(=O)[C@H]3C(=O)Nc4ccccc43)c2)cc1
InChIInChI=1S/C23H19N3O6S/c1-32-16-11-9-14(10-12-16)26-33(30,31)17-6-4-5-15(13-17)24-23(29)21(27)20-18-7-2-3-8-19(18)25-22(20)28/h2-13,20,26H,1H3,(H,24,29)(H,25,28)/t20-/m0/s1
InChIKeyDQKNUDINAHVWCS-FQEVSTJZSA-N
XLogP2.74
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4104794
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
ethyl N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 7908123
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3,3-dimethylbutanamide
CID 38765461
2-cyclopentyl-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 9414196
1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
CID 4803273
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 18168699
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid
CID 2323494
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 24639819
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
CID 24639796
1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea
CID 3500250

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide (CID 98430375) is N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide is COc1ccc(NS(=O)(=O)c2cccc(NC(=O)C(=O)[C@H]3C(=O)Nc4ccccc43)c2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The InChIKey is DQKNUDINAHVWCS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19N3O6S/c1-32-16-11-9-14(10-12-16)26-33(30,31)17-6-4-5-15(13-17)24-23(29)21(27)20-18-7-2-3-8-19(18)25-22(20)28/h2-13,20,26H,1H3,(H,24,29)(H,25,28)/t20-/m0/s1.
What are the key properties of N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide has a molecular weight of 465.49 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 98430375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).