N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide

C15H18N4O3S — CID 100628732

IUPACN-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide
SMILESCS(=O)(=O)C1(CNC(=O)c2cccc(-n3cncn3)c2)CCC1
InChIInChI=1S/C15H18N4O3S/c1-23(21,22)15(6-3-7-15)9-17-14(20)12-4-2-5-13(8-12)19-11-16-10-18-19/h2,4-5,8,10-11H,3,6-7,9H2,1H3,(H,17,20)
InChIKeyKNZHKPHINFJITF-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.96
Rot. Bonds5

About N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide

N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide (PubChem CID 100628732) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide
PubChem CID100628732
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide
SMILESCS(=O)(=O)C1(CNC(=O)c2cccc(-n3cncn3)c2)CCC1
InChIInChI=1S/C15H18N4O3S/c1-23(21,22)15(6-3-7-15)9-17-14(20)12-4-2-5-13(8-12)19-11-16-10-18-19/h2,4-5,8,10-11H,3,6-7,9H2,1H3,(H,17,20)
InChIKeyKNZHKPHINFJITF-UHFFFAOYSA-N
XLogP0.96
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 111483214
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119630093
4-methyl-2-[[[3-(1,2,4-triazol-1-yl)benzoyl]amino]methyl]pentanoic acid
CID 119252775
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
N-(2-hydroxy-2,5-dimethylhexyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 111485159
N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119524675
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 166294695
N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 99162356
3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 111539721
[(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124587828
N-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-3-(1,2,4-triazol-1-yl)benzamide
CID 100898999
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119608584

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide (CID 100628732) is N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide is CS(=O)(=O)C1(CNC(=O)c2cccc(-n3cncn3)c2)CCC1.
What is the InChIKey of N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is KNZHKPHINFJITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-23(21,22)15(6-3-7-15)9-17-14(20)12-4-2-5-13(8-12)19-11-16-10-18-19/h2,4-5,8,10-11H,3,6-7,9H2,1H3,(H,17,20).
What are the key properties of N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide?
N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 334.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 100628732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).