N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide

C18H24N4O3S — CID 113030001

IUPACN-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(C)(C)C)cn2)cc1
InChIInChI=1S/C18H24N4O3S/c1-18(2,3)21-14-8-11-16(19-12-14)20-17(23)13-6-9-15(10-7-13)26(24,25)22(4)5/h6-12,21H,1-5H3,(H,19,20,23)
InChIKeyMMWPZBCLJABSRW-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.79
Rot. Bonds5

About N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide

N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 113030001) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID113030001
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(C)(C)C)cn2)cc1
InChIInChI=1S/C18H24N4O3S/c1-18(2,3)21-14-8-11-16(19-12-14)20-17(23)13-6-9-15(10-7-13)26(24,25)22(4)5/h6-12,21H,1-5H3,(H,19,20,23)
InChIKeyMMWPZBCLJABSRW-UHFFFAOYSA-N
XLogP2.79
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010487
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide
CID 113030002
N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 112980242
4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide
CID 42172358
4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009351
6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267682

Frequently Asked Questions

What is the IUPAC name of N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide (CID 113030001) is N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(C)(C)C)cn2)cc1.
What is the InChIKey of N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is MMWPZBCLJABSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-18(2,3)21-14-8-11-16(19-12-14)20-17(23)13-6-9-15(10-7-13)26(24,25)22(4)5/h6-12,21H,1-5H3,(H,19,20,23).
What are the key properties of N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide?
N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 113030001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).