(3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide

C24H29N3O5S — CID 92681768

IUPAC(3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)C2)c1
InChIInChI=1S/C24H29N3O5S/c1-24(2)20-14-19(10-11-21(20)26(3)23(24)29)33(30,31)27-12-6-7-16(15-27)22(28)25-17-8-5-9-18(13-17)32-4/h5,8-11,13-14,16H,6-7,12,15H2,1-4H3,(H,25,28)/t16-/m0/s1
InChIKeyITKGJQUJOKMOBZ-INIZCTEOSA-N
MW471.58 g/mol
LogP2.99
Rot. Bonds5

About (3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide

(3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 92681768) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is (3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
PubChem CID92681768
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name(3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)C2)c1
InChIInChI=1S/C24H29N3O5S/c1-24(2)20-14-19(10-11-21(20)26(3)23(24)29)33(30,31)27-12-6-7-16(15-27)22(28)25-17-8-5-9-18(13-17)32-4/h5,8-11,13-14,16H,6-7,12,15H2,1-4H3,(H,25,28)/t16-/m0/s1
InChIKeyITKGJQUJOKMOBZ-INIZCTEOSA-N
XLogP2.99
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 22519264
N-(3,4-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 22519279
(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 41302466
(3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681782
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 126398428
(3S)-N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681811
(3S)-N-[(4-fluorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92505582
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
CID 9226890
N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 73401775
N-(3-cyanophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 51219116
N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22552128
(3R)-1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 97044174

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide (CID 92681768) is (3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide is COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)C2)c1.
What is the InChIKey of (3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is ITKGJQUJOKMOBZ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-24(2)20-14-19(10-11-21(20)26(3)23(24)29)33(30,31)27-12-6-7-16(15-27)22(28)25-17-8-5-9-18(13-17)32-4/h5,8-11,13-14,16H,6-7,12,15H2,1-4H3,(H,25,28)/t16-/m0/s1.
What are the key properties of (3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
(3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92681768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).