1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide

C22H33N3O4S — CID 91953842

IUPAC1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C(=O)NC(C)C)C3)cc(C)c21
InChIInChI=1S/C22H33N3O4S/c1-7-25-19-15(4)11-17(12-18(19)22(5,6)21(25)27)30(28,29)24-10-8-9-16(13-24)20(26)23-14(2)3/h11-12,14,16H,7-10,13H2,1-6H3,(H,23,26)
InChIKeyQVCJXWQJAUALIQ-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.56
Rot. Bonds5

About 1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide

1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 91953842) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is 1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID91953842
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC Name1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C(=O)NC(C)C)C3)cc(C)c21
InChIInChI=1S/C22H33N3O4S/c1-7-25-19-15(4)11-17(12-18(19)22(5,6)21(25)27)30(28,29)24-10-8-9-16(13-24)20(26)23-14(2)3/h11-12,14,16H,7-10,13H2,1-6H3,(H,23,26)
InChIKeyQVCJXWQJAUALIQ-UHFFFAOYSA-N
XLogP2.56
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40628353
N-butan-2-yl-2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]acetamide
CID 50767842
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296
(3R)-N-[(2S)-butan-2-yl]-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779925
(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 1456757
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 40650548
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 41302198
(3S)-1-ethylsulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30401682

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide (CID 91953842) is 1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide is CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C(=O)NC(C)C)C3)cc(C)c21.
What is the InChIKey of 1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is QVCJXWQJAUALIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-7-25-19-15(4)11-17(12-18(19)22(5,6)21(25)27)30(28,29)24-10-8-9-16(13-24)20(26)23-14(2)3/h11-12,14,16H,7-10,13H2,1-6H3,(H,23,26).
What are the key properties of 1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide?
1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,3,7-trimethyl-2-oxoindol-5-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 91953842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).