(3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide

C25H31N3O4S — CID 92681782

IUPAC(3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)C2)c1C
InChIInChI=1S/C25H31N3O4S/c1-16-8-6-10-21(17(16)2)26-23(29)18-9-7-13-28(15-18)33(31,32)19-11-12-22-20(14-19)25(3,4)24(30)27(22)5/h6,8,10-12,14,18H,7,9,13,15H2,1-5H3,(H,26,29)/t18-/m1/s1
InChIKeyFGRPBNACHPJFJY-GOSISDBHSA-N
MW469.61 g/mol
LogP3.60
Rot. Bonds4

About (3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide

(3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 92681782) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is (3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
PubChem CID92681782
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name(3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)C2)c1C
InChIInChI=1S/C25H31N3O4S/c1-16-8-6-10-21(17(16)2)26-23(29)18-9-7-13-28(15-18)33(31,32)19-11-12-22-20(14-19)25(3,4)24(30)27(22)5/h6,8,10-12,14,18H,7,9,13,15H2,1-5H3,(H,26,29)/t18-/m1/s1
InChIKeyFGRPBNACHPJFJY-GOSISDBHSA-N
XLogP3.60
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 22519279
(3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681768
N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 22519264
(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
(3S)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 99731284
N-(3-methylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22519320
(3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 40595931
(3R)-N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1081678
N-(3-acetamido-2-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 24673336
1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 53079209
(3R)-N-(2,3-dimethylphenyl)-1-[[5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 93058389

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide (CID 92681782) is (3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)C2)c1C.
What is the InChIKey of (3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is FGRPBNACHPJFJY-GOSISDBHSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-16-8-6-10-21(17(16)2)26-23(29)18-9-7-13-28(15-18)33(31,32)19-11-12-22-20(14-19)25(3,4)24(30)27(22)5/h6,8,10-12,14,18H,7,9,13,15H2,1-5H3,(H,26,29)/t18-/m1/s1.
What are the key properties of (3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide?
(3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92681782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).