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

C18H18N4O3S — CID 39034668

IUPAC4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCn1cnnc1-c1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H18N4O3S/c1-22-12-19-21-17(22)15-4-3-5-16(10-15)20-18(23)14-8-6-13(7-9-14)11-26(2,24)25/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyGGCPCCZLRBSNHI-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.28
Rot. Bonds5

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

4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 39034668) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID39034668
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCn1cnnc1-c1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H18N4O3S/c1-22-12-19-21-17(22)15-4-3-5-16(10-15)20-18(23)14-8-6-13(7-9-14)11-26(2,24)25/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyGGCPCCZLRBSNHI-UHFFFAOYSA-N
XLogP2.28
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39032770
4-tert-butyl-N-[2-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 38313833
3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39263384
4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-nitrobenzamide
CID 39035457
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733395
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 55125969
N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 8761868
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
CID 32626914

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide (CID 39034668) is 4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is Cn1cnnc1-c1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1.
What is the InChIKey of 4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is GGCPCCZLRBSNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-22-12-19-21-17(22)15-4-3-5-16(10-15)20-18(23)14-8-6-13(7-9-14)11-26(2,24)25/h3-10,12H,11H2,1-2H3,(H,20,23).
What are the key properties of 4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide?
4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 370.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 39034668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).