N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide

C18H24N4O4S — CID 55620834

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)nc2)cc1
InChIInChI=1S/C18H24N4O4S/c1-22(2)17-9-4-14(12-19-17)13-20-18(23)15-5-7-16(8-6-15)27(24,25)21-10-11-26-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,20,23)
InChIKeyQXGCNQOADLZRPG-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.00
Rot. Bonds9

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 55620834) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID55620834
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)nc2)cc1
InChIInChI=1S/C18H24N4O4S/c1-22(2)17-9-4-14(12-19-17)13-20-18(23)15-5-7-16(8-6-15)27(24,25)21-10-11-26-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,20,23)
InChIKeyQXGCNQOADLZRPG-UHFFFAOYSA-N
XLogP1.00
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55621126
4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108759021
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 47042424
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
3-[6-(dimethylamino)-3-pyridinyl]-5-(2-methoxyethylsulfamoyl)benzoic acid
CID 56862344
N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 35805338
4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108759094
N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 38045289
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863
N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109059702

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide (CID 55620834) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)nc2)cc1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is QXGCNQOADLZRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-22(2)17-9-4-14(12-19-17)13-20-18(23)15-5-7-16(8-6-15)27(24,25)21-10-11-26-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,20,23).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 392.48 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 55620834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).