N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide

C21H25N5O4S — CID 55856009

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ncn(Cc3ccccc3)n2)ccc1OC
InChIInChI=1S/C21H25N5O4S/c1-4-26(5-2)31(28,29)19-13-17(11-12-18(19)30-3)20(27)23-21-22-15-25(24-21)14-16-9-7-6-8-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,23,24,27)
InChIKeyADITZMZEUIEUHO-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.62
Rot. Bonds9

About N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide

N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide (PubChem CID 55856009) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
PubChem CID55856009
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ncn(Cc3ccccc3)n2)ccc1OC
InChIInChI=1S/C21H25N5O4S/c1-4-26(5-2)31(28,29)19-13-17(11-12-18(19)30-3)20(27)23-21-22-15-25(24-21)14-16-9-7-6-8-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,23,24,27)
InChIKeyADITZMZEUIEUHO-UHFFFAOYSA-N
XLogP2.62
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55550889
N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 26880143
3-[benzyl(ethyl)sulfamoyl]-N-(3-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 2712878
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
CID 2678829
N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 4789084
3-(diethylsulfamoyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 18106773
N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55857423
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 16550486
3-(diethylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55663083
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
N-(1-benzyl-1,2,4-triazol-3-yl)-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 5243844

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide (CID 55856009) is N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ncn(Cc3ccccc3)n2)ccc1OC.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is ADITZMZEUIEUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-4-26(5-2)31(28,29)19-13-17(11-12-18(19)30-3)20(27)23-21-22-15-25(24-21)14-16-9-7-6-8-10-16/h6-13,15H,4-5,14H2,1-3H3,(H,23,24,27).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 443.53 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 55856009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).