(3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide

C24H29N3O4S — CID 40893444

IUPAC(3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CCSC)N[C@@]23C(=O)Nc2ccc(C)cc23)c1
InChIInChI=1S/C24H29N3O4S/c1-14-5-7-19-17(11-14)24(23(29)26-19)18(12-15(27-24)9-10-32-4)22(28)25-20-13-16(30-2)6-8-21(20)31-3/h5-8,11,13,15,18,27H,9-10,12H2,1-4H3,(H,25,28)(H,26,29)/t15-,18+,24+/m0/s1
InChIKeyJVHZBBCMKZLDJA-PQNFPLSNSA-N
MW455.58 g/mol
LogP3.53
Rot. Bonds7

About (3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide

(3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide (PubChem CID 40893444) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is (3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide.

Molecular Properties

Compound Name(3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
PubChem CID40893444
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name(3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CCSC)N[C@@]23C(=O)Nc2ccc(C)cc23)c1
InChIInChI=1S/C24H29N3O4S/c1-14-5-7-19-17(11-14)24(23(29)26-19)18(12-15(27-24)9-10-32-4)22(28)25-20-13-16(30-2)6-8-21(20)31-3/h5-8,11,13,15,18,27H,9-10,12H2,1-4H3,(H,25,28)(H,26,29)/t15-,18+,24+/m0/s1
InChIKeyJVHZBBCMKZLDJA-PQNFPLSNSA-N
XLogP3.53
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide with MolForge

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Related Compounds

(3S,3'R,5'S)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 26913649
5-chloro-N-(2,5-dimethoxyphenyl)-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 73400198
5-bromo-N-(2,5-dimethoxyphenyl)-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 73400160
(3R,3'R,5'S)-5'-(2-amino-2-oxoethyl)-5-bromo-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 40915911
(3R,3'S,5'S)-N-(2,5-dimethoxyphenyl)-5-fluoro-5'-[(1R)-1-hydroxyethyl]-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 51808887
7-chloro-N-(4-methoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 73400447
(3S,3'S,5'S)-7-chloro-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 40920351
(3S,3'S,5'R)-5'-(2-amino-2-oxoethyl)-7-chloro-N-(2,5-dimethoxyphenyl)-5-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 26885161
N-(2,5-dimethoxyphenyl)-5'-(1-hydroxyethyl)-5,7-dimethyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 73256832
(3S,3'R,5'R)-5'-[(1R)-1-hydroxyethyl]-N-(4-methoxyphenyl)-5-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 40901875
5'-(3-amino-3-oxopropyl)-7-chloro-N-(2,5-dimethoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 73400489
(3R,3'R,5'R)-5-chloro-N-(5-chloro-2-methoxyphenyl)-5'-[(1S)-1-hydroxyethyl]-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 124870361

Frequently Asked Questions

What is the IUPAC name of (3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
The IUPAC name of (3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide (CID 40893444) is (3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide.
What is the SMILES notation for (3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
The canonical SMILES for (3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide is COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CCSC)N[C@@]23C(=O)Nc2ccc(C)cc23)c1.
What is the InChIKey of (3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
The InChIKey is JVHZBBCMKZLDJA-PQNFPLSNSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-14-5-7-19-17(11-14)24(23(29)26-19)18(12-15(27-24)9-10-32-4)22(28)25-20-13-16(30-2)6-8-21(20)31-3/h5-8,11,13,15,18,27H,9-10,12H2,1-4H3,(H,25,28)(H,26,29)/t15-,18+,24+/m0/s1.
What are the key properties of (3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
(3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'S,5'R)-N-(2,5-dimethoxyphenyl)-5-methyl-5'-(2-methylsulfanylethyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide is sourced from PubChem (CID 40893444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).