(2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide

C24H24N6O2S — CID 136906051

IUPAC(2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1
InChIInChI=1S/C24H24N6O2S/c25-22(32)20-12-6-7-13-29(20)21(31)15-33-24-28-27-23(30(24)17-9-2-1-3-10-17)19-14-16-8-4-5-11-18(16)26-19/h1-5,8-11,14,20,26H,6-7,12-13,15H2,(H2,25,32)/t20-/m0/s1
InChIKeyRTDYPIHYCBBXDT-FQEVSTJZSA-N
MW460.56 g/mol
LogP3.37
Rot. Bonds6

About (2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide

(2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide (PubChem CID 136906051) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is (2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide
PubChem CID136906051
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC Name(2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1
InChIInChI=1S/C24H24N6O2S/c25-22(32)20-12-6-7-13-29(20)21(31)15-33-24-28-27-23(30(24)17-9-2-1-3-10-17)19-14-16-8-4-5-11-18(16)26-19/h1-5,8-11,14,20,26H,6-7,12-13,15H2,(H2,25,32)/t20-/m0/s1
InChIKeyRTDYPIHYCBBXDT-FQEVSTJZSA-N
XLogP3.37
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 136824464
1-(2-ethylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 135840928
(2S)-1-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxamide
CID 8977257
3-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
CID 155559388
(2R)-1-[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 40748115
(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 9199923
1-(azepan-1-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2706954
1-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]piperidine-2-carboxamide
CID 43032851
(2S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperidine-2-carboxamide
CID 9006524
ethyl (2R)-1-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-2-carboxylate
CID 9345062
(2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide
CID 8807529
1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 84840649

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide (CID 136906051) is (2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide is NC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1.
What is the InChIKey of (2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide?
The InChIKey is RTDYPIHYCBBXDT-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24N6O2S/c25-22(32)20-12-6-7-13-29(20)21(31)15-33-24-28-27-23(30(24)17-9-2-1-3-10-17)19-14-16-8-4-5-11-18(16)26-19/h1-5,8-11,14,20,26H,6-7,12-13,15H2,(H2,25,32)/t20-/m0/s1.
What are the key properties of (2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide?
(2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 136906051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).