1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide

C21H22N4O5S — CID 71701544

IUPAC1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)C2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C21H22N4O5S/c1-30-15-6-8-16(9-7-15)31(28,29)11-10-22-21(27)14-12-19(26)25(13-14)20-17-4-2-3-5-18(17)23-24-20/h2-9,14H,10-13H2,1H3,(H,22,27)(H,23,24)
InChIKeyDDWDSKQJZPIJIG-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.51
Rot. Bonds7

About 1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide

1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 71701544) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID71701544
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC Name1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)C2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C21H22N4O5S/c1-30-15-6-8-16(9-7-15)31(28,29)11-10-22-21(27)14-12-19(26)25(13-14)20-17-4-2-3-5-18(17)23-24-20/h2-9,14H,10-13H2,1H3,(H,22,27)(H,23,24)
InChIKeyDDWDSKQJZPIJIG-UHFFFAOYSA-N
XLogP1.51
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-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

1-(1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71701607
(3R)-1-(1H-indazol-3-yl)-N-[2-(5-methoxyindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 99754317
(3R)-N-(2-hydroxyethyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 97266662
(3S)-1-(1H-indazol-3-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 97264342
ethyl 2-[[(3S)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 99754212
(3R)-1-(1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 97264841
(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97265093
(3R)-1-(1H-indazol-3-yl)-N-(6-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 97265001
N-(2-ethylphenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465831
(3S)-1-(1H-indazol-3-yl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 97429696
(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 124855184
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754255

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide (CID 71701544) is 1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(S(=O)(=O)CCNC(=O)C2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1.
What is the InChIKey of 1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DDWDSKQJZPIJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-30-15-6-8-16(9-7-15)31(28,29)11-10-22-21(27)14-12-19(26)25(13-14)20-17-4-2-3-5-18(17)23-24-20/h2-9,14H,10-13H2,1H3,(H,22,27)(H,23,24).
What are the key properties of 1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide?
1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71701544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).