N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide

C18H24N4O4S — CID 55848290

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)cn1
InChIInChI=1S/C18H24N4O4S/c1-4-22(5-2)17-9-6-13(11-20-17)12-21-18(23)15-10-14(27(19,24)25)7-8-16(15)26-3/h6-11H,4-5,12H2,1-3H3,(H,21,23)(H2,19,24,25)
InChIKeyXUMWYZIXRXZYHW-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.51
Rot. Bonds8

About N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide

N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 55848290) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID55848290
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)cn1
InChIInChI=1S/C18H24N4O4S/c1-4-22(5-2)17-9-6-13(11-20-17)12-21-18(23)15-10-14(27(19,24)25)7-8-16(15)26-3/h6-11H,4-5,12H2,1-3H3,(H,21,23)(H2,19,24,25)
InChIKeyXUMWYZIXRXZYHW-UHFFFAOYSA-N
XLogP1.51
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55709712
5-methoxy-2-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 146043450
2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 9495729
5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide
CID 55743450
N-[[6-(diethylamino)-3-pyridinyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55728596
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 55349817
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 55769818
methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate
CID 55650630

Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide (CID 55848290) is N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide is CCN(CC)c1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)cn1.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is XUMWYZIXRXZYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-4-22(5-2)17-9-6-13(11-20-17)12-21-18(23)15-10-14(27(19,24)25)7-8-16(15)26-3/h6-11H,4-5,12H2,1-3H3,(H,21,23)(H2,19,24,25).
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide?
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 392.48 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 55848290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).