N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C20H23N5O4S2 — CID 17137069

IUPACN-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CSc2nnc(COC)n2-c2ccccc2)cc1
InChIInChI=1S/C20H23N5O4S2/c1-3-21-31(27,28)17-11-9-15(10-12-17)22-19(26)14-30-20-24-23-18(13-29-2)25(20)16-7-5-4-6-8-16/h4-12,21H,3,13-14H2,1-2H3,(H,22,26)
InChIKeyFLRBPRBMYMCNSQ-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.44
Rot. Bonds10

About N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 17137069) has the molecular formula C20H23N5O4S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID17137069
Molecular FormulaC20H23N5O4S2
Molecular Weight461.57 g/mol
Exact Mass461.12
IUPAC NameN-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CSc2nnc(COC)n2-c2ccccc2)cc1
InChIInChI=1S/C20H23N5O4S2/c1-3-21-31(27,28)17-11-9-15(10-12-17)22-19(26)14-30-20-24-23-18(13-29-2)25(20)16-7-5-4-6-8-16/h4-12,21H,3,13-14H2,1-2H3,(H,22,26)
InChIKeyFLRBPRBMYMCNSQ-UHFFFAOYSA-N
XLogP2.44
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 17136910
N-[4-(hexylsulfamoyl)phenyl]-2-[[5-[(2-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17337210
2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 6458996
methyl 2-[[2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 17137075
2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 17136912
2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 17137060
N-(4-acetamidophenyl)-2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 23406982
N-(4-ethylphenyl)-2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 23407899
2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17136960
N-(2-butylsulfanylphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17137059
2-[[5-[(4-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1129188
2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17136992

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 17137069) is N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCNS(=O)(=O)c1ccc(NC(=O)CSc2nnc(COC)n2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is FLRBPRBMYMCNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S2/c1-3-21-31(27,28)17-11-9-15(10-12-17)22-19(26)14-30-20-24-23-18(13-29-2)25(20)16-7-5-4-6-8-16/h4-12,21H,3,13-14H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 461.57 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfamoyl)phenyl]-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 17137069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).