4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide

C19H21N5O3S — CID 87023016

IUPAC4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-n3ccnc3C)nc2)cc1
InChIInChI=1S/C19H21N5O3S/c1-3-23-28(26,27)17-7-5-16(6-8-17)19(25)22-13-15-4-9-18(21-12-15)24-11-10-20-14(24)2/h4-12,23H,3,13H2,1-2H3,(H,22,25)
InChIKeyWZHHQPYRXYYEQV-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.80
Rot. Bonds7

About 4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide

4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 87023016) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID87023016
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-n3ccnc3C)nc2)cc1
InChIInChI=1S/C19H21N5O3S/c1-3-23-28(26,27)17-7-5-16(6-8-17)19(25)22-13-15-4-9-18(21-12-15)24-11-10-20-14(24)2/h4-12,23H,3,13H2,1-2H3,(H,22,25)
InChIKeyWZHHQPYRXYYEQV-UHFFFAOYSA-N
XLogP1.80
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide
CID 71888425
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-[(R)-methylsulfinyl]benzamide
CID 97009313
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 112844279
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)acetamide
CID 87023045
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 119848280
1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848271
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 87023039
2-(methoxymethyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 48595046
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71888414
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide (CID 87023016) is 4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide is CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-n3ccnc3C)nc2)cc1.
What is the InChIKey of 4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is WZHHQPYRXYYEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-3-23-28(26,27)17-7-5-16(6-8-17)19(25)22-13-15-4-9-18(21-12-15)24-11-10-20-14(24)2/h4-12,23H,3,13H2,1-2H3,(H,22,25).
What are the key properties of 4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide?
4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 399.48 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 87023016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).