(2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide

C24H29N3O5S — CID 92687661

IUPAC(2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C24H29N3O5S/c1-24(2)18-14-17(11-12-19(18)26(3)23(24)29)33(30,31)27-13-7-9-20(27)22(28)25-15-16-8-5-6-10-21(16)32-4/h5-6,8,10-12,14,20H,7,9,13,15H2,1-4H3,(H,25,28)/t20-/m0/s1
InChIKeyREOQBMQUMWAMFJ-FQEVSTJZSA-N
MW471.58 g/mol
LogP2.42
Rot. Bonds6

About (2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 92687661) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is (2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID92687661
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name(2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C24H29N3O5S/c1-24(2)18-14-17(11-12-19(18)26(3)23(24)29)33(30,31)27-13-7-9-20(27)22(28)25-15-16-8-5-6-10-21(16)32-4/h5-6,8,10-12,14,20H,7,9,13,15H2,1-4H3,(H,25,28)/t20-/m0/s1
InChIKeyREOQBMQUMWAMFJ-FQEVSTJZSA-N
XLogP2.42
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 46274726
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CID 30389661
(2R)-1-(5-methoxy-2-methylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 30128088
N-[(2-methoxyphenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 50787355
1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 2973401
1-(benzenesulfonyl)-N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134023239
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 22583332
(2R)-N-[(2-methoxyphenyl)methyl]-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 93060358
(2R)-1-[[(2S)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl]sulfonyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 98747340
(2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 92887750
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 31251791
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 9401319

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide (CID 92687661) is (2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide is COc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C.
What is the InChIKey of (2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is REOQBMQUMWAMFJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-24(2)18-14-17(11-12-19(18)26(3)23(24)29)33(30,31)27-13-7-9-20(27)22(28)25-15-16-8-5-6-10-21(16)32-4/h5-6,8,10-12,14,20H,7,9,13,15H2,1-4H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methoxyphenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 92687661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).