4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide

C18H22N4O3S — CID 55692896

IUPAC4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
SMILESCN(C)c1ncccc1CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H22N4O3S/c1-22(2)17-14(4-3-11-19-17)12-20-18(23)13-5-9-16(10-6-13)26(24,25)21-15-7-8-15/h3-6,9-11,15,21H,7-8,12H2,1-2H3,(H,20,23)
InChIKeyLXLCXAFAAVNRJZ-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.52
Rot. Bonds7

About 4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide

4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide (PubChem CID 55692896) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
PubChem CID55692896
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
SMILESCN(C)c1ncccc1CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H22N4O3S/c1-22(2)17-14(4-3-11-19-17)12-20-18(23)13-5-9-16(10-6-13)26(24,25)21-15-7-8-15/h3-6,9-11,15,21H,7-8,12H2,1-2H3,(H,20,23)
InChIKeyLXLCXAFAAVNRJZ-UHFFFAOYSA-N
XLogP1.52
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 46454558
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55692728
4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587606
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55692569
4-(cyclopropylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 27544592
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42195214
2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
CID 55692623
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55692837
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
4-(2-hydroxypropylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 55980866

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide (CID 55692896) is 4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide is CN(C)c1ncccc1CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide?
The InChIKey is LXLCXAFAAVNRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-22(2)17-14(4-3-11-19-17)12-20-18(23)13-5-9-16(10-6-13)26(24,25)21-15-7-8-15/h3-6,9-11,15,21H,7-8,12H2,1-2H3,(H,20,23).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide?
4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide has a molecular weight of 374.47 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55692896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).