2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide

C18H18N6O5S — CID 51134168

IUPAC2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H18N6O5S/c1-29-16-7-6-14(30(19,27)28)8-15(16)18(26)21-9-17(25)23-12-2-4-13(5-3-12)24-11-20-10-22-24/h2-8,10-11H,9H2,1H3,(H,21,26)(H,23,25)(H2,19,27,28)
InChIKeyDYDJQGQLODNVFD-UHFFFAOYSA-N
MW430.45 g/mol
LogP0.29
Rot. Bonds7

About 2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide

2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide (PubChem CID 51134168) has the molecular formula C18H18N6O5S and a molecular weight of 430.45 g/mol. Its IUPAC name is 2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide
PubChem CID51134168
Molecular FormulaC18H18N6O5S
Molecular Weight430.45 g/mol
Exact Mass430.11
IUPAC Name2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H18N6O5S/c1-29-16-7-6-14(30(19,27)28)8-15(16)18(26)21-9-17(25)23-12-2-4-13(5-3-12)24-11-20-10-22-24/h2-8,10-11H,9H2,1H3,(H,21,26)(H,23,25)(H2,19,27,28)
InChIKeyDYDJQGQLODNVFD-UHFFFAOYSA-N
XLogP0.29
TPSA158.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-5-sulfamoyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574206
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55909075
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
CID 120828882
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 31233255

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide (CID 51134168) is 2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide?
The InChIKey is DYDJQGQLODNVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O5S/c1-29-16-7-6-14(30(19,27)28)8-15(16)18(26)21-9-17(25)23-12-2-4-13(5-3-12)24-11-20-10-22-24/h2-8,10-11H,9H2,1H3,(H,21,26)(H,23,25)(H2,19,27,28).
What are the key properties of 2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide?
2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide has a molecular weight of 430.45 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 51134168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).