4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide

C18H24N4O4S — CID 113010487

IUPAC4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
SMILESCOCCCNc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cn1
InChIInChI=1S/C18H24N4O4S/c1-22(2)27(24,25)16-8-5-14(6-9-16)18(23)21-15-7-10-17(20-13-15)19-11-4-12-26-3/h5-10,13H,4,11-12H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyZTTSJENTMQIFLJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.03
Rot. Bonds9

About 4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide

4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide (PubChem CID 113010487) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
PubChem CID113010487
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
SMILESCOCCCNc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cn1
InChIInChI=1S/C18H24N4O4S/c1-22(2)27(24,25)16-8-5-14(6-9-16)18(23)21-15-7-10-17(20-13-15)19-11-4-12-26-3/h5-10,13H,4,11-12H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyZTTSJENTMQIFLJ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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

4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109153220
N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide
CID 113030001
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 112980242
N-(4-ethoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153204
N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
CID 113010443
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 110417973
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153216
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide (CID 113010487) is 4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide is COCCCNc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cn1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide?
The InChIKey is ZTTSJENTMQIFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-22(2)27(24,25)16-8-5-14(6-9-16)18(23)21-15-7-10-17(20-13-15)19-11-4-12-26-3/h5-10,13H,4,11-12H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide?
4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide has a molecular weight of 392.48 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113010487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).