N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H23N5O2S — CID 43008293

IUPACN-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC1CCCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)C1
InChIInChI=1S/C18H23N5O2S/c1-13-5-4-8-23(10-13)17(25)14-6-3-7-15(9-14)20-16(24)11-26-18-21-19-12-22(18)2/h3,6-7,9,12-13H,4-5,8,10-11H2,1-2H3,(H,20,24)
InChIKeyQGFGQZNQGMADMN-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.42
Rot. Bonds5

About N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 43008293) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID43008293
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC1CCCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)C1
InChIInChI=1S/C18H23N5O2S/c1-13-5-4-8-23(10-13)17(25)14-6-3-7-15(9-14)20-16(24)11-26-18-21-19-12-22(18)2/h3,6-7,9,12-13H,4-5,8,10-11H2,1-2H3,(H,20,24)
InChIKeyQGFGQZNQGMADMN-UHFFFAOYSA-N
XLogP2.42
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide
CID 154859331
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 2385860
N-(1-cyclopropylethyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 55385135
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55858328
N-(3-methylbutan-2-yl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 51153959
N-benzhydryl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 39677159
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide
CID 37483984
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 38740355
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 55866341
N-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 40854775

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 43008293) is N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC1CCCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)C1.
What is the InChIKey of N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QGFGQZNQGMADMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-13-5-4-8-23(10-13)17(25)14-6-3-7-15(9-14)20-16(24)11-26-18-21-19-12-22(18)2/h3,6-7,9,12-13H,4-5,8,10-11H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 43008293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).