N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide

C20H28N4O3S — CID 25332105

IUPACN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C)nc1
InChIInChI=1S/C20H28N4O3S/c1-5-12-21-18-11-10-17(28(26,27)24(6-2)7-3)13-19(18)23-20(25)16-9-8-15(4)22-14-16/h8-11,13-14,21H,5-7,12H2,1-4H3,(H,23,25)
InChIKeyJUZIUMWWQBNJII-UHFFFAOYSA-N
MW404.54 g/mol
LogP3.49
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide

N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 25332105) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide
PubChem CID25332105
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C)nc1
InChIInChI=1S/C20H28N4O3S/c1-5-12-21-18-11-10-17(28(26,27)24(6-2)7-3)13-19(18)23-20(25)16-9-8-15(4)22-14-16/h8-11,13-14,21H,5-7,12H2,1-4H3,(H,23,25)
InChIKeyJUZIUMWWQBNJII-UHFFFAOYSA-N
XLogP3.49
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 25332874
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide
CID 4810842
N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
CID 28867137
N-(2-chloro-4-sulfamoylphenyl)-6-methylpyridine-3-carboxamide
CID 43134081
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78848202
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 25470960
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide (CID 25332105) is N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide is CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C)nc1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is JUZIUMWWQBNJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-5-12-21-18-11-10-17(28(26,27)24(6-2)7-3)13-19(18)23-20(25)16-9-8-15(4)22-14-16/h8-11,13-14,21H,5-7,12H2,1-4H3,(H,23,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 25332105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).