N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide

C21H23N3O5S — CID 95104191

IUPACN-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C1)C(=O)N2C
InChIInChI=1S/C21H23N3O5S/c1-14(25)22-15-4-7-17(8-5-15)30(27,28)24-11-10-21(13-24)18-12-16(29-3)6-9-19(18)23(2)20(21)26/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)/t21-/m0/s1
InChIKeyGSPNNAODZMRHSP-NRFANRHFSA-N
MW429.50 g/mol
LogP1.96
Rot. Bonds4

About N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide

N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide (PubChem CID 95104191) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide
PubChem CID95104191
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C1)C(=O)N2C
InChIInChI=1S/C21H23N3O5S/c1-14(25)22-15-4-7-17(8-5-15)30(27,28)24-11-10-21(13-24)18-12-16(29-3)6-9-19(18)23(2)20(21)26/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)/t21-/m0/s1
InChIKeyGSPNNAODZMRHSP-NRFANRHFSA-N
XLogP1.96
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide 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

(3R)-1'-(4-chlorophenyl)sulfonyl-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104183
5-methoxy-1-methyl-1'-(3-methylphenyl)sulfonylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177296
3-[(3S)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylbenzonitrile
CID 95104222
(3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104210
(3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103788
(3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104291
1'-(cyclopentanecarbonyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177264
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177321
(3S)-1'-(3,5-dimethoxybenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104144
(3R)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104175
(3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103783
(3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103781

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide (CID 95104191) is N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide is COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C1)C(=O)N2C.
What is the InChIKey of N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide?
The InChIKey is GSPNNAODZMRHSP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14(25)22-15-4-7-17(8-5-15)30(27,28)24-11-10-21(13-24)18-12-16(29-3)6-9-19(18)23(2)20(21)26/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)/t21-/m0/s1.
What are the key properties of N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide?
N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide has a molecular weight of 429.50 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 95104191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).