N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide

C20H26FN5O3S — CID 26324562

IUPACN-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCC[C@H]1CCn1cc(C(=O)NC2CC2)nn1
InChIInChI=1S/C20H26FN5O3S/c1-14-5-6-15(21)12-19(14)30(28,29)26-10-3-2-4-17(26)9-11-25-13-18(23-24-25)20(27)22-16-7-8-16/h5-6,12-13,16-17H,2-4,7-11H2,1H3,(H,22,27)/t17-/m0/s1
InChIKeyNIPIJIVKOBBIRC-KRWDZBQOSA-N
MW435.53 g/mol
LogP2.25
Rot. Bonds7

About N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide

N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide (PubChem CID 26324562) has the molecular formula C20H26FN5O3S and a molecular weight of 435.53 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide
PubChem CID26324562
Molecular FormulaC20H26FN5O3S
Molecular Weight435.53 g/mol
Exact Mass435.17
IUPAC NameN-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCC[C@H]1CCn1cc(C(=O)NC2CC2)nn1
InChIInChI=1S/C20H26FN5O3S/c1-14-5-6-15(21)12-19(14)30(28,29)26-10-3-2-4-17(26)9-11-25-13-18(23-24-25)20(27)22-16-7-8-16/h5-6,12-13,16-17H,2-4,7-11H2,1H3,(H,22,27)/t17-/m0/s1
InChIKeyNIPIJIVKOBBIRC-KRWDZBQOSA-N
XLogP2.25
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[1-(cyclohexanecarbonyl)piperidin-2-yl]ethyl]-N-cyclopropyltriazole-4-carboxamide
CID 45244985
1-[2-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26355822
2-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylazepane
CID 116639765
1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45181529
(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 51888037
1-[2-[(2S)-1-(dimethylsulfamoyl)piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26403188
N-cyclopropyl-1-[2-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26336887
N-cyclopropyl-1-[2-[(2R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 25294724
3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine
CID 63767384
methyl (2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 51666760
N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 45247329
N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 42428738

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide (CID 26324562) is N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide is Cc1ccc(F)cc1S(=O)(=O)N1CCCC[C@H]1CCn1cc(C(=O)NC2CC2)nn1.
What is the InChIKey of N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide?
The InChIKey is NIPIJIVKOBBIRC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26FN5O3S/c1-14-5-6-15(21)12-19(14)30(28,29)26-10-3-2-4-17(26)9-11-25-13-18(23-24-25)20(27)22-16-7-8-16/h5-6,12-13,16-17H,2-4,7-11H2,1H3,(H,22,27)/t17-/m0/s1.
What are the key properties of N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide?
N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 26324562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).