4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

C19H25N3O3S — CID 78859795

IUPAC4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2c(C)cc(C)nc2C)cc1
InChIInChI=1S/C19H25N3O3S/c1-6-13(3)22-26(24,25)17-9-7-16(8-10-17)19(23)21-18-12(2)11-14(4)20-15(18)5/h7-11,13,22H,6H2,1-5H3,(H,21,23)
InChIKeyQTCUXHZHFXUGSK-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.34
Rot. Bonds6

About 4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (PubChem CID 78859795) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
PubChem CID78859795
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2c(C)cc(C)nc2C)cc1
InChIInChI=1S/C19H25N3O3S/c1-6-13(3)22-26(24,25)17-9-7-16(8-10-17)19(23)21-18-12(2)11-14(4)20-15(18)5/h7-11,13,22H,6H2,1-5H3,(H,21,23)
InChIKeyQTCUXHZHFXUGSK-UHFFFAOYSA-N
XLogP3.34
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
CID 55485773
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109062953
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide
CID 41273948
3-(diethylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838749
4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78859603
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (CID 78859795) is 4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2c(C)cc(C)nc2C)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The InChIKey is QTCUXHZHFXUGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-6-13(3)22-26(24,25)17-9-7-16(8-10-17)19(23)21-18-12(2)11-14(4)20-15(18)5/h7-11,13,22H,6H2,1-5H3,(H,21,23).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide has a molecular weight of 375.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is sourced from PubChem (CID 78859795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).