5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide

C22H32N4O3S — CID 55743450

IUPAC5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cn1
InChIInChI=1S/C22H32N4O3S/c1-7-26(8-2)20-12-10-17(14-23-20)15-24-21(27)19-13-18(11-9-16(19)3)30(28,29)25-22(4,5)6/h9-14,25H,7-8,15H2,1-6H3,(H,24,27)
InChIKeyMXSBQHSGBMFXGL-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.24
Rot. Bonds8

About 5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide (PubChem CID 55743450) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide
PubChem CID55743450
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC Name5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cn1
InChIInChI=1S/C22H32N4O3S/c1-7-26(8-2)20-12-10-17(14-23-20)15-24-21(27)19-13-18(11-9-16(19)3)30(28,29)25-22(4,5)6/h9-14,25H,7-8,15H2,1-6H3,(H,24,27)
InChIKeyMXSBQHSGBMFXGL-UHFFFAOYSA-N
XLogP3.24
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55848290
5-(tert-butylsulfamoyl)-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 31336695
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 119946492
5-(ethylsulfamoyl)-2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55747623
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpropanamide
CID 119846340
2-bromo-5-(tert-butylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 32795071
5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 55673324
N-[[6-(diethylamino)-3-pyridinyl]methyl]naphthalene-2-sulfonamide
CID 55729077
2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
CID 119846342
5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 51155817
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide (CID 55743450) is 5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide is CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)cn1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide?
The InChIKey is MXSBQHSGBMFXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-7-26(8-2)20-12-10-17(14-23-20)15-24-21(27)19-13-18(11-9-16(19)3)30(28,29)25-22(4,5)6/h9-14,25H,7-8,15H2,1-6H3,(H,24,27).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide has a molecular weight of 432.59 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 55743450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).