1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C20H28N6O4S2 — CID 46365339

IUPAC1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nccs2)C1
InChIInChI=1S/C20H28N6O4S2/c1-14-18(15(2)26(23-14)13-17(27)24-8-3-4-9-24)32(29,30)25-10-5-6-16(12-25)19(28)22-20-21-7-11-31-20/h7,11,16H,3-6,8-10,12-13H2,1-2H3,(H,21,22,28)
InChIKeyRTTKKDNOVCADCK-UHFFFAOYSA-N
MW480.62 g/mol
LogP1.62
Rot. Bonds6

About 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 46365339) has the molecular formula C20H28N6O4S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID46365339
Molecular FormulaC20H28N6O4S2
Molecular Weight480.62 g/mol
Exact Mass480.16
IUPAC Name1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nccs2)C1
InChIInChI=1S/C20H28N6O4S2/c1-14-18(15(2)26(23-14)13-17(27)24-8-3-4-9-24)32(29,30)25-10-5-6-16(12-25)19(28)22-20-21-7-11-31-20/h7,11,16H,3-6,8-10,12-13H2,1-2H3,(H,21,22,28)
InChIKeyRTTKKDNOVCADCK-UHFFFAOYSA-N
XLogP1.62
TPSA117.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 92877646
1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 22585966
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 22585969
(3S)-1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 98345134
1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 46365353
(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 41118580
(3R)-1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 98345100
(3S)-1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 98345147
(3S)-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 92746969
1-[2-[(3,5-dimethylbenzoyl)amino]acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55818678

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 46365339) is 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nccs2)C1.
What is the InChIKey of 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is RTTKKDNOVCADCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O4S2/c1-14-18(15(2)26(23-14)13-17(27)24-8-3-4-9-24)32(29,30)25-10-5-6-16(12-25)19(28)22-20-21-7-11-31-20/h7,11,16H,3-6,8-10,12-13H2,1-2H3,(H,21,22,28).
What are the key properties of 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 480.62 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46365339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).