4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide

C19H24N4O3S — CID 113009351

IUPAC4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cn1
InChIInChI=1S/C19H24N4O3S/c1-4-13-20-18-12-9-16(14-21-18)22-19(24)15-7-10-17(11-8-15)27(25,26)23(5-2)6-3/h4,7-12,14H,1,5-6,13H2,2-3H3,(H,20,21)(H,22,24)
InChIKeyAAFBHSAEXSTNGY-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.96
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide

4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide (PubChem CID 113009351) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
PubChem CID113009351
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cn1
InChIInChI=1S/C19H24N4O3S/c1-4-13-20-18-12-9-16(14-21-18)22-19(24)15-7-10-17(11-8-15)27(25,26)23(5-2)6-3/h4,7-12,14H,1,5-6,13H2,2-3H3,(H,20,21)(H,22,24)
InChIKeyAAFBHSAEXSTNGY-UHFFFAOYSA-N
XLogP2.96
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009326
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
methyl 4-[[6-(prop-2-enylamino)pyridine-3-carbonyl]amino]benzoate
CID 109151459
3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009330
4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010487
4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38402732
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide
CID 113009307

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide (CID 113009351) is 4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide is C=CCNc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cn1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide?
The InChIKey is AAFBHSAEXSTNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-4-13-20-18-12-9-16(14-21-18)22-19(24)15-7-10-17(11-8-15)27(25,26)23(5-2)6-3/h4,7-12,14H,1,5-6,13H2,2-3H3,(H,20,21)(H,22,24).
What are the key properties of 4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide?
4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113009351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).