1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C23H29FN4O4S — CID 36941048

IUPAC1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C23H29FN4O4S/c1-16(2)21(27-33(31,32)20-8-4-3-7-19(20)24)23(30)28-12-9-18(10-13-28)22(29)26-15-17-6-5-11-25-14-17/h3-8,11,14,16,18,21,27H,9-10,12-13,15H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeySZLTWFLIZFYPJZ-NRFANRHFSA-N
MW476.57 g/mol
LogP2.08
Rot. Bonds8

About 1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 36941048) has the molecular formula C23H29FN4O4S and a molecular weight of 476.57 g/mol. Its IUPAC name is 1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID36941048
Molecular FormulaC23H29FN4O4S
Molecular Weight476.57 g/mol
Exact Mass476.19
IUPAC Name1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C23H29FN4O4S/c1-16(2)21(27-33(31,32)20-8-4-3-7-19(20)24)23(30)28-12-9-18(10-13-28)22(29)26-15-17-6-5-11-25-14-17/h3-8,11,14,16,18,21,27H,9-10,12-13,15H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeySZLTWFLIZFYPJZ-NRFANRHFSA-N
XLogP2.08
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]piperidine-4-carboxylic acid
CID 119166127
1-[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55938622
2-fluoro-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 18108508
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzenesulfonamide
CID 18108558
2-fluoro-N-[3-methyl-1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 90586856
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
(2S)-2-[(2-chlorophenyl)sulfonylamino]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348931
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
(2S)-3-methyl-2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)butanamide
CID 110348930
1-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 31042688
1-[1-(3-methylpentanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 45230403
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 36941048) is 1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SZLTWFLIZFYPJZ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29FN4O4S/c1-16(2)21(27-33(31,32)20-8-4-3-7-19(20)24)23(30)28-12-9-18(10-13-28)22(29)26-15-17-6-5-11-25-14-17/h3-8,11,14,16,18,21,27H,9-10,12-13,15H2,1-2H3,(H,26,29)/t21-/m0/s1.
What are the key properties of 1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 36941048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).