N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide

C17H23N5O2S — CID 8848605

IUPACN-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CSc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O2S/c1-17(2,3)19-13(23)10-22(4)14(24)11-25-16-18-15(20-21-16)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,23)(H,18,20,21)
InChIKeyQXDRKUAGPQDXSA-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.94
Rot. Bonds6

About N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide

N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide (PubChem CID 8848605) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
PubChem CID8848605
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CSc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O2S/c1-17(2,3)19-13(23)10-22(4)14(24)11-25-16-18-15(20-21-16)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,23)(H,18,20,21)
InChIKeyQXDRKUAGPQDXSA-UHFFFAOYSA-N
XLogP1.94
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]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,N-dimethyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 8848712
2-[[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30520316
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7908480
2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide
CID 8620942
2-[[2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2612713
N-(2,5-dimethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 959558
N-(2-methylsulfonylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8738830
N-benzyl-N-tert-butyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3923422
N-cyclopropyl-2-[methyl-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 40669412
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 684403
N-(2-phenylethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3299041
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 3922681

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide (CID 8848605) is N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)CSc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The InChIKey is QXDRKUAGPQDXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-17(2,3)19-13(23)10-22(4)14(24)11-25-16-18-15(20-21-16)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,23)(H,18,20,21).
What are the key properties of N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 8848605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).