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

C24H27N7O3S — CID 154859331

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide
SMILESCn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C24H27N7O3S/c1-30-16-25-29-24(30)35-15-21(32)26-20-9-5-6-17(14-20)22(33)31-12-10-19(11-13-31)28-23(34)27-18-7-3-2-4-8-18/h2-9,14,16,19H,10-13,15H2,1H3,(H,26,32)(H2,27,28,34)
InChIKeySANXANLYPGRULO-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.97
Rot. Bonds7

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

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 154859331) has the molecular formula C24H27N7O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide
PubChem CID154859331
Molecular FormulaC24H27N7O3S
Molecular Weight493.59 g/mol
Exact Mass493.19
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide
SMILESCn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C24H27N7O3S/c1-30-16-25-29-24(30)35-15-21(32)26-20-9-5-6-17(14-20)22(33)31-12-10-19(11-13-31)28-23(34)27-18-7-3-2-4-8-18/h2-9,14,16,19H,10-13,15H2,1H3,(H,26,32)(H2,27,28,34)
InChIKeySANXANLYPGRULO-UHFFFAOYSA-N
XLogP2.97
TPSA121.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]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

N-[3-(3-methylpiperidine-1-carbonyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 43008293
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 55866341
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 2385860
N-benzhydryl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 39677159
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-anilinopropyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 56586412
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 31002678
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55382710
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
N-(3-methylbutan-2-yl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 51153959
N-cyclopropyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide
CID 37483984

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide (CID 154859331) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide is Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is SANXANLYPGRULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3S/c1-30-16-25-29-24(30)35-15-21(32)26-20-9-5-6-17(14-20)22(33)31-12-10-19(11-13-31)28-23(34)27-18-7-3-2-4-8-18/h2-9,14,16,19H,10-13,15H2,1H3,(H,26,32)(H2,27,28,34).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 493.59 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 154859331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).