N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide

C20H20N4O2S — CID 1018302

IUPACN-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2C)c1
InChIInChI=1S/C20H20N4O2S/c1-3-18(26)21-16-11-7-10-15(12-16)19-22-23-20(24(19)2)27-13-17(25)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3,(H,21,26)
InChIKeyNCUKLJYTGPWBEZ-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.81
Rot. Bonds7

About N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide

N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide (PubChem CID 1018302) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide
PubChem CID1018302
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2C)c1
InChIInChI=1S/C20H20N4O2S/c1-3-18(26)21-16-11-7-10-15(12-16)19-22-23-20(24(19)2)27-13-17(25)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3,(H,21,26)
InChIKeyNCUKLJYTGPWBEZ-UHFFFAOYSA-N
XLogP3.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide 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-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 944986
2-{2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-N-phenyl-1-hydrazinecarboxamide
CID 2814556
N-(4-acetylphenyl)-2-[[4-(3-methoxypropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1735845
N-(4-Acetyl-phenyl)-2-(5-cyclopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 3215008
4-[[2-[(4,5-Dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 7664767
N-(4-acetylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 16314045
2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 1130285
N-[4-(dimethylamino)phenyl]-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 665133
2-Fluoro-N-{4-[2-(4-methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-phenyl}-benzamide
CID 1439383
5,7-Dimethyl-2-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl]methyl}-1,4-dihydroquinolin-4-one
CID 16030364
N-(2,4-difluorophenyl)-8-[[4-methyl-5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]octanamide
CID 118540883
4-[[4-benzyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide
CID 141752602

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide?
The IUPAC name of N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide (CID 1018302) is N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide.
What is the SMILES notation for N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide?
The canonical SMILES for N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide is CCC(=O)Nc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2C)c1.
What is the InChIKey of N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide?
The InChIKey is NCUKLJYTGPWBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-3-18(26)21-16-11-7-10-15(12-16)19-22-23-20(24(19)2)27-13-17(25)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3,(H,21,26).
What are the key properties of N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide?
N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide has a molecular weight of 380.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 1018302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).