2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide

C19H20N4O4S — CID 55882008

IUPAC2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(OCCn2cncn2)c1
InChIInChI=1S/C19H20N4O4S/c1-14-6-7-17(28(2,25)26)11-18(14)19(24)22-15-4-3-5-16(10-15)27-9-8-23-13-20-12-21-23/h3-7,10-13H,8-9H2,1-2H3,(H,22,24)
InChIKeyOXNALQNGEWBTGB-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.32
Rot. Bonds7

About 2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide

2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide (PubChem CID 55882008) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
PubChem CID55882008
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(OCCn2cncn2)c1
InChIInChI=1S/C19H20N4O4S/c1-14-6-7-17(28(2,25)26)11-18(14)19(24)22-15-4-3-5-16(10-15)27-9-8-23-13-20-12-21-23/h3-7,10-13H,8-9H2,1-2H3,(H,22,24)
InChIKeyOXNALQNGEWBTGB-UHFFFAOYSA-N
XLogP2.32
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769708
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55968651
2,3,4,5,6-pentamethyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzenesulfonamide
CID 60549348
6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
CID 55880611
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
3-(2-methylpiperidin-1-yl)sulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
CID 55881490
2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide
CID 55769676
4-(5-methylthiophen-2-yl)-4-oxo-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55769546
4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880866
2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769296
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
CID 119859094

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide (CID 55882008) is 2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(OCCn2cncn2)c1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide?
The InChIKey is OXNALQNGEWBTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-14-6-7-17(28(2,25)26)11-18(14)19(24)22-15-4-3-5-16(10-15)27-9-8-23-13-20-12-21-23/h3-7,10-13H,8-9H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide?
2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide has a molecular weight of 400.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide is sourced from PubChem (CID 55882008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).