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

C21H22N4O5S — CID 97263743

IUPAC(3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)[C@H]2CC(=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)/t14-/m0/s1
InChIKeyDDWDSKQJZPIJIG-AWEZNQCLSA-N
MW442.50 g/mol
LogP1.51
Rot. Bonds7

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

(3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97263743) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is (3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97263743
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC Name(3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)[C@H]2CC(=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)/t14-/m0/s1
InChIKeyDDWDSKQJZPIJIG-AWEZNQCLSA-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 (3S)-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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide (CID 97263743) is (3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(S(=O)(=O)CCNC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)cc1.
What is the InChIKey of (3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DDWDSKQJZPIJIG-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of (3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-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 (3S)-1-(1H-indazol-3-yl)-N-[2-(4-methoxyphenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97263743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).