2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

C20H22N4OS — CID 55556512

IUPAC2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)Sc1ccccc1C(=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H22N4OS/c1-15(2)26-19-6-4-3-5-18(19)20(25)22-11-16-7-9-17(10-8-16)12-24-14-21-13-23-24/h3-10,13-15H,11-12H2,1-2H3,(H,22,25)
InChIKeyCZWMWOXFAQFDHW-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.76
Rot. Bonds7

About 2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55556512) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID55556512
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)Sc1ccccc1C(=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H22N4OS/c1-15(2)26-19-6-4-3-5-18(19)20(25)22-11-16-7-9-17(10-8-16)12-24-14-21-13-23-24/h3-10,13-15H,11-12H2,1-2H3,(H,22,25)
InChIKeyCZWMWOXFAQFDHW-UHFFFAOYSA-N
XLogP3.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide 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-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18132348
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132456
2-fluoro-N-[2-oxo-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 18132472
N-[[4-(diethylamino)phenyl]methyl]-2-propan-2-ylsulfanylbenzamide
CID 100615537
5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18126602
2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide
CID 55659343
(2S)-2-amino-4-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 119838497
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132522
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 18132485
2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18132316
N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394848

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (CID 55556512) is 2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is CC(C)Sc1ccccc1C(=O)NCc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is CZWMWOXFAQFDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-15(2)26-19-6-4-3-5-18(19)20(25)22-11-16-7-9-17(10-8-16)12-24-14-21-13-23-24/h3-10,13-15H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 366.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55556512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).